sys.argv= ['/home/haule/dmft_w2k/bin_wp14/x_dmft.py', '-d', '-p', 'dmft1'] DmftEnvironment: mpi_prefix.dat exists -- running in parallel mode. /opt/mpich2/intel/13.0/bin/mpiexec -port 21964 -np 76 -machinefile /tmp/41964.1.wp14/machines -env OMP_NUM_THREADS 1 -envlist LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT DmftEnvironment: mpi_prefix.dat2 is different from mpi_prefix.dat -- running dmft1/dmft2 in parallel mode. /opt/mpich2/intel/13.0/bin/mpiexec -port 21964 -np 49 -machinefile wmachines -env OMP_NUM_THREADS 2 -envlist LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT Found Sr2IrO4-AFM2.vectorso file, hence assuming so-coupling exists. Switching -so switch! case= Sr2IrO4-AFM2 root= /home/haule/dmft_w2k/bin_wp14 cixs= [1, 2, 3, 4, 5, 6, 7, 8] NOE= 600.0 opening Sr2IrO4-AFM2.scf2 Ef= 7.92531554923 Found DMFT-mu= 7.925318 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 37) Finished k-point number 38 with #bands= 454 44) Finished k-point number 45 with #bands= 452 17) Finished k-point number 18 with #bands= 458 36) Finished k-point number 37 with #bands= 454 48) Finished k-point number 49 with #bands= 464 43) Finished k-point number 44 with #bands= 452 32) Finished k-point number 33 with #bands= 452 1) Finished k-point number 2 with #bands= 456 30) Finished k-point number 31 with #bands= 452 33) Finished k-point number 34 with #bands= 456 12) Finished k-point number 13 with #bands= 454 47) Finished k-point number 48 with #bands= 460 25) Finished k-point number 26 with #bands= 452 39) Finished k-point number 40 with #bands= 456 3) Finished k-point number 4 with #bands= 456 8) Finished k-point number 9 with #bands= 456 41) Finished k-point number 42 with #bands= 460 9) Finished k-point number 10 with #bands= 458 31) Finished k-point number 32 with #bands= 452 20) Finished k-point number 21 with #bands= 452 26) Finished k-point number 27 with #bands= 454 29) Finished k-point number 30 with #bands= 452 24) Finished k-point number 25 with #bands= 454 38) Finished k-point number 39 with #bands= 454 18) Finished k-point number 19 with #bands= 452 10) Finished k-point number 11 with #bands= 458 40) Finished k-point number 41 with #bands= 460 35) Finished k-point number 36 with #bands= 454 34) Finished k-point number 35 with #bands= 456 27) Finished k-point number 28 with #bands= 452 14) Finished k-point number 15 with #bands= 458 16) Finished k-point number 17 with #bands= 458 19) Finished k-point number 20 with #bands= 454 28) Finished k-point number 29 with #bands= 454 15) Finished k-point number 16 with #bands= 458 13) Finished k-point number 14 with #bands= 452 11) Finished k-point number 12 with #bands= 452 46) Finished k-point number 47 with #bands= 456 42) Finished k-point number 43 with #bands= 452 22) Finished k-point number 23 with #bands= 458 4) Finished k-point number 5 with #bands= 454 2) Finished k-point number 3 with #bands= 458 5) Finished k-point number 6 with #bands= 454 45) Finished k-point number 46 with #bands= 452 0) Finished k-point number 1 with #bands= 458 21) Finished k-point number 22 with #bands= 456 23) Finished k-point number 24 with #bands= 458 6) Finished k-point number 7 with #bands= 452 7) Finished k-point number 8 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745160054210093 0.745160054210093 0.760973715722821 0.760973715722821 0.760544654003913 0.760544654003914 1.380816907363885E-009 1.380816907363885E-009 -4.224283572146764E-004 0.745160054211028 0.745160054210116 0.760973715722821 0.760973715722821 0.760544654003914 0.760544654003913 1.380748678639188E-009 1.380748678639188E-009 -4.224283571922458E-004 0.745160054211036 0.745160054210116 0.760973715722820 0.760973715722820 0.760544654003913 0.760544654003914 1.077703576628353E-008 1.077703576628353E-008 -4.224283571925859E-004 0.745160054210093 0.745160054210093 0.760973715722820 0.760973715722820 0.760544654003914 0.760544654003913 1.077710836821122E-008 1.077710836821122E-008 -4.224283572148042E-004 0.745158346750472 0.745158346750423 0.760974500240944 0.760974500240944 0.760544351289325 0.760544351289325 -3.164552287383114E-007 -3.164552287383114E-007 -4.240859510863779E-004 0.745158346750418 0.745158346750418 0.760974500240944 0.760974500240944 0.760544351289325 0.760544351289325 -3.164555741575571E-007 -3.164555741575571E-007 -4.240859511074422E-004 0.745158346750418 0.745158346750418 0.760974500240926 0.760974500240926 0.760544351289347 0.760544351289347 3.286132413728295E-007 3.286132413728295E-007 -4.240859511640949E-004 0.745158346750477 0.745158346750423 0.760974500240926 0.760974500240926 0.760544351289347 0.760544351289347 3.286135847043463E-007 3.286135847043463E-007 -4.240859511430065E-004 1) Finished k-point number 2 with #bands= 456 26) Finished k-point number 27 with #bands= 454 30) Finished k-point number 31 with #bands= 452 37) Finished k-point number 38 with #bands= 454 5) Finished k-point number 6 with #bands= 454 33) Finished k-point number 34 with #bands= 456 31) Finished k-point number 32 with #bands= 452 3) Finished k-point number 4 with #bands= 456 38) Finished k-point number 39 with #bands= 454 48) Finished k-point number 49 with #bands= 464 34) Finished k-point number 35 with #bands= 456 2) Finished k-point number 3 with #bands= 458 4) Finished k-point number 5 with #bands= 454 39) Finished k-point number 40 with #bands= 456 36) Finished k-point number 37 with #bands= 454 0) Finished k-point number 1 with #bands= 458 32) Finished k-point number 33 with #bands= 452 35) Finished k-point number 36 with #bands= 454 6) Finished k-point number 7 with #bands= 452 27) Finished k-point number 28 with #bands= 452 42) Finished k-point number 43 with #bands= 452 21) Finished k-point number 22 with #bands= 456 29) Finished k-point number 30 with #bands= 452 11) Finished k-point number 12 with #bands= 452 12) Finished k-point number 13 with #bands= 454 8) Finished k-point number 9 with #bands= 456 28) Finished k-point number 29 with #bands= 454 46) Finished k-point number 47 with #bands= 456 23) Finished k-point number 24 with #bands= 458 25) Finished k-point number 26 with #bands= 452 44) Finished k-point number 45 with #bands= 452 20) Finished k-point number 21 with #bands= 452 24) Finished k-point number 25 with #bands= 454 10) Finished k-point number 11 with #bands= 458 41) Finished k-point number 42 with #bands= 460 18) Finished k-point number 19 with #bands= 452 47) Finished k-point number 48 with #bands= 460 40) Finished k-point number 41 with #bands= 460 22) Finished k-point number 23 with #bands= 458 13) Finished k-point number 14 with #bands= 452 19) Finished k-point number 20 with #bands= 454 43) Finished k-point number 44 with #bands= 452 17) Finished k-point number 18 with #bands= 458 14) Finished k-point number 15 with #bands= 458 16) Finished k-point number 17 with #bands= 458 7) Finished k-point number 8 with #bands= 456 15) Finished k-point number 16 with #bands= 458 45) Finished k-point number 46 with #bands= 452 9) Finished k-point number 10 with #bands= 458 Eimp= -1.39522562089164 -1.39563264037060 -2.20319660286482 -2.20316901027858 -2.14310294304221 -2.14327503952083 3.183281279306512E-008 3.183281278586694E-008 5.694304872225437E-003 -1.39522562089227 -1.39563264036819 -2.20319660286287 -2.20316901027554 -2.14310294301318 -2.14327503947931 3.183311243356723E-008 3.183311244078284E-008 5.694304871911927E-003 -1.39522562089229 -1.39563264036819 -2.20319660286287 -2.20316901027554 -2.14310294301318 -2.14327503947928 -7.822859397371630E-009 -7.822859409529200E-009 5.694304871913118E-003 -1.39522562089164 -1.39563264037060 -2.20319660286482 -2.20316901027858 -2.14310294304221 -2.14327503952083 -7.823158975261818E-009 -7.823158953999564E-009 5.694304872226360E-003 -1.39523162479542 -1.39563862132017 -2.20320313301036 -2.20317552438600 -2.14311664613744 -2.14328861930710 -4.395180152309044E-007 -4.395180152259784E-007 5.696091807336364E-003 -1.39523162479640 -1.39563862132264 -2.20320313301232 -2.20317552438905 -2.14311664615114 -2.14328861934151 -4.395183202413554E-007 -4.395183202340416E-007 5.696091807664621E-003 -1.39523162479640 -1.39563862132264 -2.20320313301222 -2.20317552438894 -2.14311664615126 -2.14328861934163 4.635291441739479E-007 4.635291441724870E-007 5.696091807622121E-003 -1.39523162479543 -1.39563862132016 -2.20320313301026 -2.20317552438590 -2.14311664613757 -2.14328861930722 4.635294491423474E-007 4.635294491416333E-007 5.696091807293491E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.853047408346680E-009 1.853047408346680E-009 -5.609749303127713E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.852955851060903E-009 1.852955851060903E-009 -5.609749302829720E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.446271267922469E-008 1.446271267922469E-008 -5.609749302834268E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.446281011304538E-008 1.446281011304538E-008 -5.609749303129370E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -4.246818547007671E-007 -4.246818547007671E-007 -5.631765309485339E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -4.246823182523586E-007 -4.246823182523586E-007 -5.631765309765120E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 4.409978668396440E-007 4.409978668396440E-007 -5.631765310517539E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 4.409983275963042E-007 4.409983275963042E-007 -5.631765310237413E-004 =====>>> CPU TIME SUMMARY TOTAL : 593.5 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 37) Finished k-point number 38 with #bands= 454 34) Finished k-point number 35 with #bands= 456 25) Finished k-point number 26 with #bands= 452 19) Finished k-point number 20 with #bands= 454 45) Finished k-point number 46 with #bands= 452 21) Finished k-point number 22 with #bands= 456 29) Finished k-point number 30 with #bands= 452 41) Finished k-point number 42 with #bands= 460 22) Finished k-point number 23 with #bands= 458 9) Finished k-point number 10 with #bands= 458 8) Finished k-point number 9 with #bands= 456 40) Finished k-point number 41 with #bands= 460 5) Finished k-point number 6 with #bands= 454 13) Finished k-point number 14 with #bands= 452 27) Finished k-point number 28 with #bands= 452 36) Finished k-point number 37 with #bands= 454 3) Finished k-point number 4 with #bands= 456 48) Finished k-point number 49 with #bands= 464 30) Finished k-point number 31 with #bands= 452 32) Finished k-point number 33 with #bands= 452 24) Finished k-point number 25 with #bands= 454 46) Finished k-point number 47 with #bands= 456 47) Finished k-point number 48 with #bands= 460 12) Finished k-point number 13 with #bands= 454 42) Finished k-point number 43 with #bands= 452 4) Finished k-point number 5 with #bands= 454 20) Finished k-point number 21 with #bands= 452 17) Finished k-point number 18 with #bands= 458 0) Finished k-point number 1 with #bands= 458 18) Finished k-point number 19 with #bands= 452 10) Finished k-point number 11 with #bands= 458 33) Finished k-point number 34 with #bands= 456 39) Finished k-point number 40 with #bands= 456 1) Finished k-point number 2 with #bands= 456 38) Finished k-point number 39 with #bands= 454 2) Finished k-point number 3 with #bands= 458 7) Finished k-point number 8 with #bands= 456 28) Finished k-point number 29 with #bands= 454 44) Finished k-point number 45 with #bands= 452 35) Finished k-point number 36 with #bands= 454 26) Finished k-point number 27 with #bands= 454 15) Finished k-point number 16 with #bands= 458 31) Finished k-point number 32 with #bands= 452 16) Finished k-point number 17 with #bands= 458 23) Finished k-point number 24 with #bands= 458 6) Finished k-point number 7 with #bands= 452 43) Finished k-point number 44 with #bands= 452 11) Finished k-point number 12 with #bands= 452 14) Finished k-point number 15 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745151371314712 0.745151371314712 0.760968212729276 0.760968212729276 0.760537753745378 0.760537753745378 7.791686983348205E-009 7.791686983348205E-009 -4.216530160791772E-004 0.745151371313513 0.745151371314713 0.760968212729276 0.760968212729276 0.760537753745378 0.760537753745378 7.792653398974251E-009 7.792653398974251E-009 -4.216530160767256E-004 0.745151371313518 0.745151371314713 0.760968212729275 0.760968212729275 0.760537753745378 0.760537753745378 4.367007353865173E-009 4.367007353865173E-009 -4.216530160770152E-004 0.745151371314712 0.745151371314712 0.760968212729275 0.760968212729275 0.760537753745378 0.760537753745378 4.366043110416332E-009 4.366043110416332E-009 -4.216530160792197E-004 0.745150758083024 0.745150758082965 0.760968175452167 0.760968175452167 0.760537513441575 0.760537513441575 -2.712127429921216E-007 -2.712127429921216E-007 -4.228025572308636E-004 0.745150758082937 0.745150758082937 0.760968175452167 0.760968175452167 0.760537513441575 0.760537513441575 -2.712131072409277E-007 -2.712131072409277E-007 -4.228025572444887E-004 0.745150758082937 0.745150758082937 0.760968175452151 0.760968175452151 0.760537513441594 0.760537513441594 2.833708398837405E-007 2.833708398837405E-007 -4.228025572932524E-004 0.745150758083029 0.745150758082966 0.760968175452151 0.760968175452151 0.760537513441594 0.760537513441594 2.833712017572931E-007 2.833712017572931E-007 -4.228025572796981E-004 37) Finished k-point number 38 with #bands= 454 2) Finished k-point number 3 with #bands= 458 34) Finished k-point number 35 with #bands= 456 35) Finished k-point number 36 with #bands= 454 38) Finished k-point number 39 with #bands= 454 31) Finished k-point number 32 with #bands= 452 32) Finished k-point number 33 with #bands= 452 30) Finished k-point number 31 with #bands= 452 25) Finished k-point number 26 with #bands= 452 23) Finished k-point number 24 with #bands= 458 27) Finished k-point number 28 with #bands= 452 1) Finished k-point number 2 with #bands= 456 3) Finished k-point number 4 with #bands= 456 39) Finished k-point number 40 with #bands= 456 33) Finished k-point number 34 with #bands= 456 36) Finished k-point number 37 with #bands= 454 28) Finished k-point number 29 with #bands= 454 48) Finished k-point number 49 with #bands= 464 14) Finished k-point number 15 with #bands= 458 26) Finished k-point number 27 with #bands= 454 13) Finished k-point number 14 with #bands= 452 24) Finished k-point number 25 with #bands= 454 5) Finished k-point number 6 with #bands= 454 0) Finished k-point number 1 with #bands= 458 4) Finished k-point number 5 with #bands= 454 29) Finished k-point number 30 with #bands= 452 47) Finished k-point number 48 with #bands= 460 46) Finished k-point number 47 with #bands= 456 8) Finished k-point number 9 with #bands= 456 20) Finished k-point number 21 with #bands= 452 18) Finished k-point number 19 with #bands= 452 22) Finished k-point number 23 with #bands= 458 41) Finished k-point number 42 with #bands= 460 7) Finished k-point number 8 with #bands= 456 17) Finished k-point number 18 with #bands= 458 12) Finished k-point number 13 with #bands= 454 44) Finished k-point number 45 with #bands= 452 15) Finished k-point number 16 with #bands= 458 10) Finished k-point number 11 with #bands= 458 19) Finished k-point number 20 with #bands= 454 45) Finished k-point number 46 with #bands= 452 16) Finished k-point number 17 with #bands= 458 43) Finished k-point number 44 with #bands= 452 11) Finished k-point number 12 with #bands= 452 21) Finished k-point number 22 with #bands= 456 6) Finished k-point number 7 with #bands= 452 9) Finished k-point number 10 with #bands= 458 42) Finished k-point number 43 with #bands= 452 40) Finished k-point number 41 with #bands= 460 Eimp= -1.39464675438714 -1.39505408946130 -2.20258644467398 -2.20255870686856 -2.14255403653006 -2.14272612002939 1.878518107527411E-008 1.878518108398716E-008 5.724417856815250E-003 -1.39464675438380 -1.39505408945883 -2.20258644467201 -2.20255870686551 -2.14255403650278 -2.14272611999235 1.878550047912670E-008 1.878550047636516E-008 5.724417856507334E-003 -1.39464675438381 -1.39505408945883 -2.20258644467201 -2.20255870686551 -2.14255403650279 -2.14272611999236 5.215497589807951E-009 5.215497591978817E-009 5.724417856506895E-003 -1.39464675438714 -1.39505408946130 -2.20258644467398 -2.20255870686855 -2.14255403653006 -2.14272612002939 5.215178187668130E-009 5.215178186885971E-009 5.724417856815113E-003 -1.39465429264256 -1.39506164866741 -2.20258945581580 -2.20256169071671 -2.14256599846276 -2.14273812650650 -3.739629249483321E-007 -3.739629249386285E-007 5.728038631149363E-003 -1.39465429264349 -1.39506164866985 -2.20258945581778 -2.20256169071975 -2.14256599847858 -2.14273812654008 -3.739632531104228E-007 -3.739632531139879E-007 5.728038631468639E-003 -1.39465429264349 -1.39506164866985 -2.20258945581769 -2.20256169071966 -2.14256599847868 -2.14273812654017 3.979643553914681E-007 3.979643553799856E-007 5.728038631431017E-003 -1.39465429264257 -1.39506164866741 -2.20258945581571 -2.20256169071662 -2.14256599846288 -2.14273812650660 3.979646835496363E-007 3.979646835457791E-007 5.728038631111635E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.045651565508181E-008 1.045651565508181E-008 -5.599505825355410E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.045781259838977E-008 1.045781259838977E-008 -5.599505825322848E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.860564067402568E-009 5.860564067402568E-009 -5.599505825326680E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.859270051198258E-009 5.859270051198258E-009 -5.599505825355997E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -3.639702973509566E-007 -3.639702973509566E-007 -5.614774053718140E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -3.639707861786913E-007 -3.639707861786913E-007 -5.614774053899191E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.802865887400913E-007 3.802865887400913E-007 -5.614774054546794E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.802870743682181E-007 3.802870743682181E-007 -5.614774054366658E-004 =====>>> CPU TIME SUMMARY TOTAL : 605.3 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 1) Finished k-point number 2 with #bands= 456 16) Finished k-point number 17 with #bands= 458 6) Finished k-point number 7 with #bands= 452 38) Finished k-point number 39 with #bands= 454 40) Finished k-point number 41 with #bands= 460 33) Finished k-point number 34 with #bands= 456 20) Finished k-point number 21 with #bands= 452 25) Finished k-point number 26 with #bands= 452 19) Finished k-point number 20 with #bands= 454 4) Finished k-point number 5 with #bands= 454 26) Finished k-point number 27 with #bands= 454 10) Finished k-point number 11 with #bands= 458 18) Finished k-point number 19 with #bands= 452 3) Finished k-point number 4 with #bands= 456 12) Finished k-point number 13 with #bands= 454 11) Finished k-point number 12 with #bands= 452 9) Finished k-point number 10 with #bands= 458 7) Finished k-point number 8 with #bands= 456 39) Finished k-point number 40 with #bands= 456 41) Finished k-point number 42 with #bands= 460 30) Finished k-point number 31 with #bands= 452 27) Finished k-point number 28 with #bands= 452 35) Finished k-point number 36 with #bands= 454 2) Finished k-point number 3 with #bands= 458 36) Finished k-point number 37 with #bands= 454 37) Finished k-point number 38 with #bands= 454 17) Finished k-point number 18 with #bands= 458 5) Finished k-point number 6 with #bands= 454 28) Finished k-point number 29 with #bands= 454 0) Finished k-point number 1 with #bands= 458 23) Finished k-point number 24 with #bands= 458 44) Finished k-point number 45 with #bands= 452 46) Finished k-point number 47 with #bands= 456 31) Finished k-point number 32 with #bands= 452 48) Finished k-point number 49 with #bands= 464 24) Finished k-point number 25 with #bands= 454 29) Finished k-point number 30 with #bands= 452 42) Finished k-point number 43 with #bands= 452 45) Finished k-point number 46 with #bands= 452 13) Finished k-point number 14 with #bands= 452 8) Finished k-point number 9 with #bands= 456 43) Finished k-point number 44 with #bands= 452 14) Finished k-point number 15 with #bands= 458 22) Finished k-point number 23 with #bands= 458 47) Finished k-point number 48 with #bands= 460 34) Finished k-point number 35 with #bands= 456 32) Finished k-point number 33 with #bands= 452 21) Finished k-point number 22 with #bands= 456 15) Finished k-point number 16 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745135048206281 0.745135048206281 0.760949839932584 0.760949839932584 0.760521186190558 0.760521186190559 6.670446115406645E-009 6.670446115406645E-009 -4.227589085800162E-004 0.745135048206758 0.745135048206305 0.760949839932584 0.760949839932584 0.760521186190559 0.760521186190558 6.670608880201909E-009 6.670608880201909E-009 -4.227589085654705E-004 0.745135048206757 0.745135048206305 0.760949839932583 0.760949839932583 0.760521186190559 0.760521186190559 5.487183714393908E-009 5.487183714393908E-009 -4.227589085659574E-004 0.745135048206281 0.745135048206281 0.760949839932583 0.760949839932583 0.760521186190559 0.760521186190559 5.487021020478927E-009 5.487021020478927E-009 -4.227589085803839E-004 0.745133967812600 0.745133967812047 0.760950569871399 0.760950569871399 0.760521073583205 0.760521073583206 -2.389706048569425E-007 -2.389706048569425E-007 -4.237408535665537E-004 0.745133967812031 0.745133967812031 0.760950569871399 0.760950569871399 0.760521073583206 0.760521073583205 -2.389707097154716E-007 -2.389707097154716E-007 -4.237408535841086E-004 0.745133967812031 0.745133967812031 0.760950569871385 0.760950569871385 0.760521073583223 0.760521073583223 2.511280710362622E-007 2.511280710362622E-007 -4.237408536262815E-004 0.745133967812617 0.745133967812047 0.760950569871385 0.760950569871385 0.760521073583223 0.760521073583223 2.511281668724340E-007 2.511281668724340E-007 -4.237408536088189E-004 3) Finished k-point number 4 with #bands= 456 1) Finished k-point number 2 with #bands= 456 30) Finished k-point number 31 with #bands= 452 35) Finished k-point number 36 with #bands= 454 32) Finished k-point number 33 with #bands= 452 33) Finished k-point number 34 with #bands= 456 22) Finished k-point number 23 with #bands= 458 34) Finished k-point number 35 with #bands= 456 23) Finished k-point number 24 with #bands= 458 38) Finished k-point number 39 with #bands= 454 5) Finished k-point number 6 with #bands= 454 36) Finished k-point number 37 with #bands= 454 48) Finished k-point number 49 with #bands= 464 42) Finished k-point number 43 with #bands= 452 31) Finished k-point number 32 with #bands= 452 2) Finished k-point number 3 with #bands= 458 27) Finished k-point number 28 with #bands= 452 29) Finished k-point number 30 with #bands= 452 37) Finished k-point number 38 with #bands= 454 39) Finished k-point number 40 with #bands= 456 45) Finished k-point number 46 with #bands= 452 26) Finished k-point number 27 with #bands= 454 0) Finished k-point number 1 with #bands= 458 28) Finished k-point number 29 with #bands= 454 25) Finished k-point number 26 with #bands= 452 15) Finished k-point number 16 with #bands= 458 20) Finished k-point number 21 with #bands= 452 47) Finished k-point number 48 with #bands= 460 24) Finished k-point number 25 with #bands= 454 4) Finished k-point number 5 with #bands= 454 13) Finished k-point number 14 with #bands= 452 46) Finished k-point number 47 with #bands= 456 6) Finished k-point number 7 with #bands= 452 11) Finished k-point number 12 with #bands= 452 44) Finished k-point number 45 with #bands= 452 17) Finished k-point number 18 with #bands= 458 7) Finished k-point number 8 with #bands= 456 12) Finished k-point number 13 with #bands= 454 9) Finished k-point number 10 with #bands= 458 40) Finished k-point number 41 with #bands= 460 16) Finished k-point number 17 with #bands= 458 18) Finished k-point number 19 with #bands= 452 10) Finished k-point number 11 with #bands= 458 8) Finished k-point number 9 with #bands= 456 19) Finished k-point number 20 with #bands= 454 41) Finished k-point number 42 with #bands= 460 21) Finished k-point number 22 with #bands= 456 43) Finished k-point number 44 with #bands= 452 14) Finished k-point number 15 with #bands= 458 Eimp= -1.39328582997088 -1.39369332139230 -2.20105011904499 -2.20102253991281 -2.14124983864918 -2.14142217136984 1.439517242368436E-008 1.439517241192526E-008 5.817678686845813E-003 -1.39328582997064 -1.39369332138990 -2.20105011904301 -2.20102253990977 -2.14124983861919 -2.14142217133027 1.439547346578241E-008 1.439547345271130E-008 5.817678686523296E-003 -1.39328582997064 -1.39369332138990 -2.20105011904301 -2.20102253990977 -2.14124983861918 -2.14142217133030 9.582140587740998E-009 9.582140587563235E-009 5.817678686523111E-003 -1.39328582997089 -1.39369332139230 -2.20105011904499 -2.20102253991281 -2.14124983864918 -2.14142217136984 9.581839432480116E-009 9.581839419128212E-009 5.817678686846031E-003 -1.39328052646725 -1.39368801808484 -2.20105790849958 -2.20103033401957 -2.14125738247436 -2.14142958484866 -2.915503861931486E-007 -2.915503861904353E-007 5.822610726820770E-003 -1.39328052646728 -1.39368801808728 -2.20105790850155 -2.20103033402260 -2.14125738249131 -2.14142958488265 -2.915506740767390E-007 -2.915506740693003E-007 5.822610727143383E-003 -1.39328052646728 -1.39368801808727 -2.20105790850148 -2.20103033402253 -2.14125738249139 -2.14142958488274 3.155285312227479E-007 3.155285312218041E-007 5.822610727111729E-003 -1.39328052646728 -1.39368801808483 -2.20105790849950 -2.20103033401949 -2.14125738247444 -2.14142958484873 3.155288188744146E-007 3.155288188894840E-007 5.822610726789734E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.951996195435187E-009 8.951996195435187E-009 -5.614321225529229E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.952214630250806E-009 8.952214630250806E-009 -5.614321225335976E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.364012370134788E-009 7.364012370134788E-009 -5.614321225342449E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.363794030203513E-009 7.363794030203513E-009 -5.614321225534071E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -3.207082419780983E-007 -3.207082419780983E-007 -5.627363028180398E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -3.207083827051131E-007 -3.207083827051131E-007 -5.627363028413643E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.370240545819816E-007 3.370240545819816E-007 -5.627363028973682E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.370241831953728E-007 3.370241831953728E-007 -5.627363028741787E-004 =====>>> CPU TIME SUMMARY TOTAL : 607.1 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 39) Finished k-point number 40 with #bands= 456 25) Finished k-point number 26 with #bands= 452 22) Finished k-point number 23 with #bands= 458 40) Finished k-point number 41 with #bands= 460 26) Finished k-point number 27 with #bands= 454 21) Finished k-point number 22 with #bands= 456 1) Finished k-point number 2 with #bands= 456 29) Finished k-point number 30 with #bands= 452 24) Finished k-point number 25 with #bands= 454 47) Finished k-point number 48 with #bands= 460 4) Finished k-point number 5 with #bands= 454 27) Finished k-point number 28 with #bands= 452 38) Finished k-point number 39 with #bands= 454 46) Finished k-point number 47 with #bands= 456 0) Finished k-point number 1 with #bands= 458 31) Finished k-point number 32 with #bands= 452 30) Finished k-point number 31 with #bands= 452 36) Finished k-point number 37 with #bands= 454 2) Finished k-point number 3 with #bands= 458 28) Finished k-point number 29 with #bands= 454 23) Finished k-point number 24 with #bands= 458 3) Finished k-point number 4 with #bands= 456 5) Finished k-point number 6 with #bands= 454 43) Finished k-point number 44 with #bands= 452 42) Finished k-point number 43 with #bands= 452 37) Finished k-point number 38 with #bands= 454 7) Finished k-point number 8 with #bands= 456 35) Finished k-point number 36 with #bands= 454 15) Finished k-point number 16 with #bands= 458 19) Finished k-point number 20 with #bands= 454 11) Finished k-point number 12 with #bands= 452 34) Finished k-point number 35 with #bands= 456 14) Finished k-point number 15 with #bands= 458 18) Finished k-point number 19 with #bands= 452 48) Finished k-point number 49 with #bands= 464 32) Finished k-point number 33 with #bands= 452 16) Finished k-point number 17 with #bands= 458 33) Finished k-point number 34 with #bands= 456 10) Finished k-point number 11 with #bands= 458 45) Finished k-point number 46 with #bands= 452 20) Finished k-point number 21 with #bands= 452 17) Finished k-point number 18 with #bands= 458 44) Finished k-point number 45 with #bands= 452 13) Finished k-point number 14 with #bands= 452 41) Finished k-point number 42 with #bands= 460 12) Finished k-point number 13 with #bands= 454 8) Finished k-point number 9 with #bands= 456 6) Finished k-point number 7 with #bands= 452 9) Finished k-point number 10 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745135432246178 0.745135432246178 0.760950055362668 0.760950055362668 0.760521735073988 0.760521735073987 7.748439726784413E-009 7.748439726784413E-009 -4.226319570914258E-004 0.745135432245727 0.745135432246190 0.760950055362668 0.760950055362668 0.760521735073987 0.760521735073988 7.749048026918738E-009 7.749048026918738E-009 -4.226319570967523E-004 0.745135432245737 0.745135432246190 0.760950055362667 0.760950055362667 0.760521735073989 0.760521735073989 4.409587202982672E-009 4.409587202982672E-009 -4.226319570975362E-004 0.745135432246178 0.745135432246178 0.760950055362667 0.760950055362667 0.760521735073989 0.760521735073989 4.408984114246719E-009 4.408984114246719E-009 -4.226319570919874E-004 0.745133189189764 0.745133189189267 0.760951889113453 0.760951889113453 0.760521590265188 0.760521590265188 -3.115220278869203E-007 -3.115220278869203E-007 -4.231743454114554E-004 0.745133189189240 0.745133189189240 0.760951889113453 0.760951889113453 0.760521590265188 0.760521590265188 -3.115221702939288E-007 -3.115221702939288E-007 -4.231743454165021E-004 0.745133189189240 0.745133189189240 0.760951889113435 0.760951889113435 0.760521590265210 0.760521590265210 3.236796424216457E-007 3.236796424216457E-007 -4.231743454717441E-004 0.745133189189767 0.745133189189266 0.760951889113435 0.760951889113435 0.760521590265210 0.760521590265210 3.236797829904402E-007 3.236797829904402E-007 -4.231743454666589E-004 38) Finished k-point number 39 with #bands= 454 33) Finished k-point number 34 with #bands= 456 35) Finished k-point number 36 with #bands= 454 25) Finished k-point number 26 with #bands= 452 31) Finished k-point number 32 with #bands= 452 36) Finished k-point number 37 with #bands= 454 23) Finished k-point number 24 with #bands= 458 37) Finished k-point number 38 with #bands= 454 2) Finished k-point number 3 with #bands= 458 27) Finished k-point number 28 with #bands= 452 32) Finished k-point number 33 with #bands= 452 30) Finished k-point number 31 with #bands= 452 34) Finished k-point number 35 with #bands= 456 48) Finished k-point number 49 with #bands= 464 4) Finished k-point number 5 with #bands= 454 29) Finished k-point number 30 with #bands= 452 22) Finished k-point number 23 with #bands= 458 1) Finished k-point number 2 with #bands= 456 5) Finished k-point number 6 with #bands= 454 28) Finished k-point number 29 with #bands= 454 47) Finished k-point number 48 with #bands= 460 3) Finished k-point number 4 with #bands= 456 24) Finished k-point number 25 with #bands= 454 0) Finished k-point number 1 with #bands= 458 26) Finished k-point number 27 with #bands= 454 7) Finished k-point number 8 with #bands= 456 17) Finished k-point number 18 with #bands= 458 46) Finished k-point number 47 with #bands= 456 20) Finished k-point number 21 with #bands= 452 39) Finished k-point number 40 with #bands= 456 15) Finished k-point number 16 with #bands= 458 44) Finished k-point number 45 with #bands= 452 45) Finished k-point number 46 with #bands= 452 13) Finished k-point number 14 with #bands= 452 9) Finished k-point number 10 with #bands= 458 19) Finished k-point number 20 with #bands= 454 43) Finished k-point number 44 with #bands= 452 12) Finished k-point number 13 with #bands= 454 11) Finished k-point number 12 with #bands= 452 40) Finished k-point number 41 with #bands= 460 6) Finished k-point number 7 with #bands= 452 42) Finished k-point number 43 with #bands= 452 41) Finished k-point number 42 with #bands= 460 10) Finished k-point number 11 with #bands= 458 18) Finished k-point number 19 with #bands= 452 21) Finished k-point number 22 with #bands= 456 16) Finished k-point number 17 with #bands= 458 14) Finished k-point number 15 with #bands= 458 8) Finished k-point number 9 with #bands= 456 Eimp= -1.39331570440608 -1.39372344674369 -2.20107410753418 -2.20104648372598 -2.14130429985974 -2.14147672961182 1.181821229029672E-008 1.181821229852282E-008 5.832303094749456E-003 -1.39331570440411 -1.39372344674126 -2.20107410753220 -2.20104648372293 -2.14130429983394 -2.14147672957165 1.181850778282793E-008 1.181850779956595E-008 5.832303094446768E-003 -1.39331570440413 -1.39372344674126 -2.20107410753219 -2.20104648372292 -2.14130429983394 -2.14147672957164 1.215937479024916E-008 1.215937481028982E-008 5.832303094447030E-003 -1.39331570440608 -1.39372344674369 -2.20107410753418 -2.20104648372598 -2.14130429985974 -2.14147672961183 1.215907931839896E-008 1.215907931355810E-008 5.832303094750062E-003 -1.39331149911838 -1.39371922796024 -2.20108106688217 -2.20105342889853 -2.14131136876353 -2.14148371922984 -4.099929639422927E-007 -4.099929639467336E-007 5.836171322214370E-003 -1.39331149911851 -1.39371922796270 -2.20108106688414 -2.20105342890158 -2.14131136877079 -2.14148371926373 -4.099932726268495E-007 -4.099932726218428E-007 5.836171322516806E-003 -1.39331149911851 -1.39371922796269 -2.20108106688405 -2.20105342890149 -2.14131136877091 -2.14148371926385 4.339716134909075E-007 4.339716134995409E-007 5.836171322474444E-003 -1.39331149911838 -1.39371922796024 -2.20108106688208 -2.20105342889844 -2.14131136876363 -2.14148371922994 4.339719221870202E-007 4.339719221856100E-007 5.836171322172164E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.039869987283442E-008 1.039869987283442E-008 -5.612633044007950E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.039951623757106E-008 1.039951623757106E-008 -5.612633044078696E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.917833203268334E-009 5.917833203268334E-009 -5.612633044089060E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.917023833442615E-009 5.917023833442615E-009 -5.612633044015464E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -4.180756305186579E-007 -4.180756305186579E-007 -5.619837751641796E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -4.180758216336231E-007 -4.180758216336231E-007 -5.619837751708955E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 4.343916592640804E-007 4.343916592640804E-007 -5.619837752442651E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 4.343918479149343E-007 4.343918479149343E-007 -5.619837752375032E-004 =====>>> CPU TIME SUMMARY TOTAL : 583.2 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 35) Finished k-point number 36 with #bands= 454 44) Finished k-point number 45 with #bands= 452 2) Finished k-point number 3 with #bands= 458 3) Finished k-point number 4 with #bands= 456 1) Finished k-point number 2 with #bands= 456 31) Finished k-point number 32 with #bands= 452 5) Finished k-point number 6 with #bands= 454 18) Finished k-point number 19 with #bands= 452 14) Finished k-point number 15 with #bands= 458 42) Finished k-point number 43 with #bands= 452 8) Finished k-point number 9 with #bands= 456 9) Finished k-point number 10 with #bands= 458 17) Finished k-point number 18 with #bands= 458 30) Finished k-point number 31 with #bands= 452 20) Finished k-point number 21 with #bands= 452 48) Finished k-point number 49 with #bands= 464 37) Finished k-point number 38 with #bands= 454 36) Finished k-point number 37 with #bands= 454 34) Finished k-point number 35 with #bands= 456 15) Finished k-point number 16 with #bands= 458 26) Finished k-point number 27 with #bands= 454 25) Finished k-point number 26 with #bands= 452 0) Finished k-point number 1 with #bands= 458 10) Finished k-point number 11 with #bands= 458 7) Finished k-point number 8 with #bands= 456 41) Finished k-point number 42 with #bands= 460 39) Finished k-point number 40 with #bands= 456 33) Finished k-point number 34 with #bands= 456 38) Finished k-point number 39 with #bands= 454 4) Finished k-point number 5 with #bands= 454 32) Finished k-point number 33 with #bands= 452 45) Finished k-point number 46 with #bands= 452 43) Finished k-point number 44 with #bands= 452 21) Finished k-point number 22 with #bands= 456 12) Finished k-point number 13 with #bands= 454 47) Finished k-point number 48 with #bands= 460 27) Finished k-point number 28 with #bands= 452 28) Finished k-point number 29 with #bands= 454 29) Finished k-point number 30 with #bands= 452 22) Finished k-point number 23 with #bands= 458 46) Finished k-point number 47 with #bands= 456 11) Finished k-point number 12 with #bands= 452 16) Finished k-point number 17 with #bands= 458 19) Finished k-point number 20 with #bands= 454 24) Finished k-point number 25 with #bands= 454 23) Finished k-point number 24 with #bands= 458 13) Finished k-point number 14 with #bands= 452 6) Finished k-point number 7 with #bands= 452 40) Finished k-point number 41 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745134225177573 0.745134225177573 0.760950370782496 0.760950370782496 0.760521447012559 0.760521447012559 1.067569061438220E-008 1.067569061438220E-008 -4.230348256758783E-004 0.745134225177772 0.745134225177558 0.760950370782496 0.760950370782496 0.760521447012559 0.760521447012559 1.067593421495439E-008 1.067593421495439E-008 -4.230348256551347E-004 0.745134225177772 0.745134225177559 0.760950370782496 0.760950370782496 0.760521447012558 0.760521447012558 1.481945255232367E-009 1.481945255232367E-009 -4.230348256548408E-004 0.745134225177573 0.745134225177573 0.760950370782496 0.760950370782496 0.760521447012558 0.760521447012558 1.481701512691206E-009 1.481701512691206E-009 -4.230348256756100E-004 0.745132308672011 0.745132308671984 0.760951601230583 0.760951601230583 0.760521170299180 0.760521170299180 -4.018976690842028E-007 -4.018976690842028E-007 -4.225649595734713E-004 0.745132308671977 0.745132308671977 0.760951601230583 0.760951601230583 0.760521170299180 0.760521170299180 -4.018980272006896E-007 -4.018980272006896E-007 -4.225649595889718E-004 0.745132308671977 0.745132308671977 0.760951601230560 0.760951601230560 0.760521170299208 0.760521170299208 4.140555106283177E-007 4.140555106283177E-007 -4.225649596603724E-004 0.745132308672026 0.745132308671983 0.760951601230560 0.760951601230560 0.760521170299208 0.760521170299208 4.140558604870391E-007 4.140558604870391E-007 -4.225649596447964E-004 35) Finished k-point number 36 with #bands= 454 36) Finished k-point number 37 with #bands= 454 0) Finished k-point number 1 with #bands= 458 37) Finished k-point number 38 with #bands= 454 39) Finished k-point number 40 with #bands= 456 34) Finished k-point number 35 with #bands= 456 30) Finished k-point number 31 with #bands= 452 31) Finished k-point number 32 with #bands= 452 32) Finished k-point number 33 with #bands= 452 33) Finished k-point number 34 with #bands= 456 44) Finished k-point number 45 with #bands= 452 48) Finished k-point number 49 with #bands= 464 22) Finished k-point number 23 with #bands= 458 38) Finished k-point number 39 with #bands= 454 4) Finished k-point number 5 with #bands= 454 1) Finished k-point number 2 with #bands= 456 25) Finished k-point number 26 with #bands= 452 24) Finished k-point number 25 with #bands= 454 26) Finished k-point number 27 with #bands= 454 20) Finished k-point number 21 with #bands= 452 5) Finished k-point number 6 with #bands= 454 28) Finished k-point number 29 with #bands= 454 7) Finished k-point number 8 with #bands= 456 10) Finished k-point number 11 with #bands= 458 3) Finished k-point number 4 with #bands= 456 2) Finished k-point number 3 with #bands= 458 29) Finished k-point number 30 with #bands= 452 47) Finished k-point number 48 with #bands= 460 17) Finished k-point number 18 with #bands= 458 9) Finished k-point number 10 with #bands= 458 27) Finished k-point number 28 with #bands= 452 42) Finished k-point number 43 with #bands= 452 23) Finished k-point number 24 with #bands= 458 19) Finished k-point number 20 with #bands= 454 11) Finished k-point number 12 with #bands= 452 46) Finished k-point number 47 with #bands= 456 43) Finished k-point number 44 with #bands= 452 41) Finished k-point number 42 with #bands= 460 14) Finished k-point number 15 with #bands= 458 13) Finished k-point number 14 with #bands= 452 21) Finished k-point number 22 with #bands= 456 6) Finished k-point number 7 with #bands= 452 16) Finished k-point number 17 with #bands= 458 18) Finished k-point number 19 with #bands= 452 40) Finished k-point number 41 with #bands= 460 15) Finished k-point number 16 with #bands= 458 8) Finished k-point number 9 with #bands= 456 12) Finished k-point number 13 with #bands= 454 45) Finished k-point number 46 with #bands= 452 Eimp= -1.39329102271430 -1.39369906301359 -2.20103598216957 -2.20100832822013 -2.14129022625643 -2.14146276494029 3.306437423840903E-009 3.306437423080400E-009 5.839602387904506E-003 -1.39329102271354 -1.39369906301110 -2.20103598216758 -2.20100832821709 -2.14129022622980 -2.14146276489922 3.306727778050039E-009 3.306727758734499E-009 5.839602387619235E-003 -1.39329102271355 -1.39369906301111 -2.20103598216758 -2.20100832821708 -2.14129022622981 -2.14146276489921 2.067045623275235E-008 2.067045622681487E-008 5.839602387619502E-003 -1.39329102271430 -1.39369906301360 -2.20103598216957 -2.20100832822013 -2.14129022625643 -2.14146276494029 2.067016591723636E-008 2.067016588725214E-008 5.839602387904533E-003 -1.39329185127033 -1.39369984179167 -2.20104454837595 -2.20101682299872 -2.14130033654630 -2.14147279142028 -5.441570548655952E-007 -5.441570548791322E-007 5.839632947330653E-003 -1.39329185127137 -1.39369984179417 -2.20104454837796 -2.20101682300175 -2.14130033655583 -2.14147279145222 -5.441573638824291E-007 -5.441573638799350E-007 5.839632947629670E-003 -1.39329185127137 -1.39369984179417 -2.20104454837784 -2.20101682300163 -2.14130033655597 -2.14147279145237 5.681352464955664E-007 5.681352464863559E-007 5.839632947574205E-003 -1.39329185127035 -1.39369984179167 -2.20104454837583 -2.20101682299859 -2.14130033654644 -2.14147279142041 5.681355554652752E-007 5.681355554737633E-007 5.839632947275159E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.432720475991256E-008 1.432720475991256E-008 -5.617986601722348E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.432753167747071E-008 1.432753167747071E-008 -5.617986601446907E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.988829940556834E-009 1.988829940556834E-009 -5.617986601442998E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.988502823846847E-009 1.988502823846847E-009 -5.617986601718750E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.393641698401817E-007 -5.393641698401817E-007 -5.611749366184911E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.393646504477161E-007 -5.393646504477161E-007 -5.611749366390792E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.556805225175061E-007 5.556805225175061E-007 -5.611749367339053E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.556809920474406E-007 5.556809920474406E-007 -5.611749367132183E-004 =====>>> CPU TIME SUMMARY TOTAL : 565.8 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 5) Finished k-point number 6 with #bands= 454 1) Finished k-point number 2 with #bands= 456 2) Finished k-point number 3 with #bands= 458 3) Finished k-point number 4 with #bands= 456 45) Finished k-point number 46 with #bands= 452 39) Finished k-point number 40 with #bands= 456 32) Finished k-point number 33 with #bands= 452 15) Finished k-point number 16 with #bands= 458 4) Finished k-point number 5 with #bands= 454 10) Finished k-point number 11 with #bands= 458 8) Finished k-point number 9 with #bands= 456 23) Finished k-point number 24 with #bands= 458 13) Finished k-point number 14 with #bands= 452 38) Finished k-point number 39 with #bands= 454 0) Finished k-point number 1 with #bands= 458 35) Finished k-point number 36 with #bands= 454 48) Finished k-point number 49 with #bands= 464 33) Finished k-point number 34 with #bands= 456 34) Finished k-point number 35 with #bands= 456 36) Finished k-point number 37 with #bands= 454 37) Finished k-point number 38 with #bands= 454 27) Finished k-point number 28 with #bands= 452 24) Finished k-point number 25 with #bands= 454 14) Finished k-point number 15 with #bands= 458 47) Finished k-point number 48 with #bands= 460 20) Finished k-point number 21 with #bands= 452 41) Finished k-point number 42 with #bands= 460 7) Finished k-point number 8 with #bands= 456 12) Finished k-point number 13 with #bands= 454 19) Finished k-point number 20 with #bands= 454 11) Finished k-point number 12 with #bands= 452 9) Finished k-point number 10 with #bands= 458 21) Finished k-point number 22 with #bands= 456 25) Finished k-point number 26 with #bands= 452 44) Finished k-point number 45 with #bands= 452 6) Finished k-point number 7 with #bands= 452 30) Finished k-point number 31 with #bands= 452 22) Finished k-point number 23 with #bands= 458 31) Finished k-point number 32 with #bands= 452 29) Finished k-point number 30 with #bands= 452 26) Finished k-point number 27 with #bands= 454 28) Finished k-point number 29 with #bands= 454 46) Finished k-point number 47 with #bands= 456 16) Finished k-point number 17 with #bands= 458 17) Finished k-point number 18 with #bands= 458 42) Finished k-point number 43 with #bands= 452 18) Finished k-point number 19 with #bands= 452 40) Finished k-point number 41 with #bands= 460 43) Finished k-point number 44 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745125704342462 0.745125704342462 0.760943646362219 0.760943646362219 0.760513885561304 0.760513885561304 5.308660042952745E-009 5.308660042952745E-009 -4.229855424480037E-004 0.745125704342956 0.745125704342467 0.760943646362219 0.760943646362219 0.760513885561304 0.760513885561304 5.308787223685609E-009 5.308787223685609E-009 -4.229855424409969E-004 0.745125704342956 0.745125704342468 0.760943646362219 0.760943646362219 0.760513885561305 0.760513885561305 6.848783294287631E-009 6.848783294287631E-009 -4.229855424411794E-004 0.745125704342462 0.745125704342462 0.760943646362219 0.760943646362219 0.760513885561305 0.760513885561305 6.848656377081308E-009 6.848656377081308E-009 -4.229855424482259E-004 0.745123210694854 0.745123210693182 0.760946051829940 0.760946051829940 0.760513871706931 0.760513871706931 -1.793008159366044E-007 -1.793008159366044E-007 -4.228140685572390E-004 0.745123210693163 0.745123210693163 0.760946051829940 0.760946051829940 0.760513871706931 0.760513871706931 -1.793003650581146E-007 -1.793003650581146E-007 -4.228140685741354E-004 0.745123210693163 0.745123210693163 0.760946051829929 0.760946051829929 0.760513871706944 0.760513871706944 1.914578291689371E-007 1.914578291689371E-007 -4.228140686064336E-004 0.745123210694860 0.745123210693183 0.760946051829929 0.760946051829929 0.760513871706944 0.760513871706944 1.914573752556059E-007 1.914573752556059E-007 -4.228140685896439E-004 2) Finished k-point number 3 with #bands= 458 32) Finished k-point number 33 with #bands= 452 33) Finished k-point number 34 with #bands= 456 35) Finished k-point number 36 with #bands= 454 38) Finished k-point number 39 with #bands= 454 36) Finished k-point number 37 with #bands= 454 27) Finished k-point number 28 with #bands= 452 30) Finished k-point number 31 with #bands= 452 4) Finished k-point number 5 with #bands= 454 37) Finished k-point number 38 with #bands= 454 3) Finished k-point number 4 with #bands= 456 31) Finished k-point number 32 with #bands= 452 1) Finished k-point number 2 with #bands= 456 0) Finished k-point number 1 with #bands= 458 24) Finished k-point number 25 with #bands= 454 34) Finished k-point number 35 with #bands= 456 5) Finished k-point number 6 with #bands= 454 48) Finished k-point number 49 with #bands= 464 39) Finished k-point number 40 with #bands= 456 13) Finished k-point number 14 with #bands= 452 42) Finished k-point number 43 with #bands= 452 15) Finished k-point number 16 with #bands= 458 28) Finished k-point number 29 with #bands= 454 26) Finished k-point number 27 with #bands= 454 10) Finished k-point number 11 with #bands= 458 47) Finished k-point number 48 with #bands= 460 11) Finished k-point number 12 with #bands= 452 43) Finished k-point number 44 with #bands= 452 23) Finished k-point number 24 with #bands= 458 7) Finished k-point number 8 with #bands= 456 22) Finished k-point number 23 with #bands= 458 25) Finished k-point number 26 with #bands= 452 6) Finished k-point number 7 with #bands= 452 29) Finished k-point number 30 with #bands= 452 46) Finished k-point number 47 with #bands= 456 20) Finished k-point number 21 with #bands= 452 19) Finished k-point number 20 with #bands= 454 9) Finished k-point number 10 with #bands= 458 45) Finished k-point number 46 with #bands= 452 44) Finished k-point number 45 with #bands= 452 8) Finished k-point number 9 with #bands= 456 16) Finished k-point number 17 with #bands= 458 21) Finished k-point number 22 with #bands= 456 17) Finished k-point number 18 with #bands= 458 41) Finished k-point number 42 with #bands= 460 14) Finished k-point number 15 with #bands= 458 12) Finished k-point number 13 with #bands= 454 18) Finished k-point number 19 with #bands= 452 40) Finished k-point number 41 with #bands= 460 Eimp= -1.39267191925803 -1.39307998425865 -2.20037614557349 -2.20034829631799 -2.14067613456392 -2.14084881422880 1.958911952292327E-008 1.958911954323403E-008 5.859972747217230E-003 -1.39267191925783 -1.39307998425623 -2.20037614557154 -2.20034829631495 -2.14067613453547 -2.14084881418781 1.958940817978088E-008 1.958940818686186E-008 5.859972746890338E-003 -1.39267191925783 -1.39307998425623 -2.20037614557154 -2.20034829631494 -2.14067613453547 -2.14084881418782 4.377537702681314E-009 4.377537686505738E-009 5.859972746890358E-003 -1.39267191925803 -1.39307998425865 -2.20037614557349 -2.20034829631799 -2.14067613456392 -2.14084881422880 4.377248950173926E-009 4.377248949367237E-009 5.859972747217653E-003 -1.39266135105603 -1.39306942999127 -2.20038231642165 -2.20035445661694 -2.14068089155916 -2.14085345950619 -2.234512786267279E-007 -2.234512786199427E-007 5.859730517472282E-003 -1.39266135105399 -1.39306942999375 -2.20038231642359 -2.20035445661998 -2.14068089157241 -2.14085345954182 -2.234515939329060E-007 -2.234515939270554E-007 5.859730517795321E-003 -1.39266135105399 -1.39306942999375 -2.20038231642353 -2.20035445661993 -2.14068089157247 -2.14085345954189 2.474184728235222E-007 2.474184728402338E-007 5.859730517771530E-003 -1.39266135105604 -1.39306942999127 -2.20038231642160 -2.20035445661688 -2.14068089155922 -2.14085345950625 2.474187880832130E-007 2.474187880867347E-007 5.859730517448807E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.124516053113605E-009 7.124516053113605E-009 -5.617389049003578E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.124686740101958E-009 7.124686740101958E-009 -5.617389048910438E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.191446832765292E-009 9.191446832765292E-009 -5.617389048912873E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.191276500615869E-009 9.191276500615869E-009 -5.617389049006465E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.406324395252521E-007 -2.406324395252521E-007 -5.615112339251058E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.406318344181888E-007 -2.406318344181888E-007 -5.615112339475577E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.569478797855347E-007 2.569478797855347E-007 -5.615112339904495E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.569472706143408E-007 2.569472706143408E-007 -5.615112339681481E-004 =====>>> CPU TIME SUMMARY TOTAL : 610.4 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 37) Finished k-point number 38 with #bands= 454 19) Finished k-point number 20 with #bands= 454 32) Finished k-point number 33 with #bands= 452 46) Finished k-point number 47 with #bands= 456 14) Finished k-point number 15 with #bands= 458 4) Finished k-point number 5 with #bands= 454 8) Finished k-point number 9 with #bands= 456 10) Finished k-point number 11 with #bands= 458 1) Finished k-point number 2 with #bands= 456 31) Finished k-point number 32 with #bands= 452 5) Finished k-point number 6 with #bands= 454 36) Finished k-point number 37 with #bands= 454 30) Finished k-point number 31 with #bands= 452 39) Finished k-point number 40 with #bands= 456 2) Finished k-point number 3 with #bands= 458 28) Finished k-point number 29 with #bands= 454 34) Finished k-point number 35 with #bands= 456 20) Finished k-point number 21 with #bands= 452 26) Finished k-point number 27 with #bands= 454 44) Finished k-point number 45 with #bands= 452 35) Finished k-point number 36 with #bands= 454 45) Finished k-point number 46 with #bands= 452 3) Finished k-point number 4 with #bands= 456 42) Finished k-point number 43 with #bands= 452 24) Finished k-point number 25 with #bands= 454 23) Finished k-point number 24 with #bands= 458 33) Finished k-point number 34 with #bands= 456 6) Finished k-point number 7 with #bands= 452 7) Finished k-point number 8 with #bands= 456 40) Finished k-point number 41 with #bands= 460 9) Finished k-point number 10 with #bands= 458 25) Finished k-point number 26 with #bands= 452 43) Finished k-point number 44 with #bands= 452 18) Finished k-point number 19 with #bands= 452 48) Finished k-point number 49 with #bands= 464 41) Finished k-point number 42 with #bands= 460 38) Finished k-point number 39 with #bands= 454 16) Finished k-point number 17 with #bands= 458 47) Finished k-point number 48 with #bands= 460 27) Finished k-point number 28 with #bands= 452 0) Finished k-point number 1 with #bands= 458 29) Finished k-point number 30 with #bands= 452 22) Finished k-point number 23 with #bands= 458 12) Finished k-point number 13 with #bands= 454 15) Finished k-point number 16 with #bands= 458 11) Finished k-point number 12 with #bands= 452 13) Finished k-point number 14 with #bands= 452 21) Finished k-point number 22 with #bands= 456 17) Finished k-point number 18 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745160641963982 0.745160641963982 0.760979650043842 0.760979650043842 0.760547882913429 0.760547882913429 6.778711226413521E-009 6.778711226413521E-009 -4.229527524298303E-004 0.745160641963752 0.745160641963974 0.760979650043842 0.760979650043842 0.760547882913429 0.760547882913429 6.779178377594010E-009 6.779178377594010E-009 -4.229527524132986E-004 0.745160641963746 0.745160641963974 0.760979650043842 0.760979650043842 0.760547882913429 0.760547882913429 5.379584272960347E-009 5.379584272960347E-009 -4.229527524132894E-004 0.745160641963983 0.745160641963983 0.760979650043842 0.760979650043842 0.760547882913429 0.760547882913429 5.379113796410515E-009 5.379113796410515E-009 -4.229527524298670E-004 0.745161194609684 0.745161194610368 0.760978515442558 0.760978515442558 0.760547586486518 0.760547586486518 -4.014027993333035E-007 -4.014027993333035E-007 -4.235031995701452E-004 0.745161194610364 0.745161194610364 0.760978515442558 0.760978515442558 0.760547586486518 0.760547586486518 -4.014035102264100E-007 -4.014035102264100E-007 -4.235031995843986E-004 0.745161194610365 0.745161194610365 0.760978515442535 0.760978515442535 0.760547586486547 0.760547586486547 4.135612493632337E-007 4.135612493632337E-007 -4.235031996556337E-004 0.745161194609684 0.745161194610368 0.760978515442535 0.760978515442535 0.760547586486547 0.760547586486547 4.135619603388505E-007 4.135619603388505E-007 -4.235031996414078E-004 38) Finished k-point number 39 with #bands= 454 3) Finished k-point number 4 with #bands= 456 1) Finished k-point number 2 with #bands= 456 5) Finished k-point number 6 with #bands= 454 36) Finished k-point number 37 with #bands= 454 48) Finished k-point number 49 with #bands= 464 39) Finished k-point number 40 with #bands= 456 2) Finished k-point number 3 with #bands= 458 0) Finished k-point number 1 with #bands= 458 4) Finished k-point number 5 with #bands= 454 30) Finished k-point number 31 with #bands= 452 34) Finished k-point number 35 with #bands= 456 31) Finished k-point number 32 with #bands= 452 33) Finished k-point number 34 with #bands= 456 32) Finished k-point number 33 with #bands= 452 37) Finished k-point number 38 with #bands= 454 47) Finished k-point number 48 with #bands= 460 35) Finished k-point number 36 with #bands= 454 44) Finished k-point number 45 with #bands= 452 28) Finished k-point number 29 with #bands= 454 11) Finished k-point number 12 with #bands= 452 14) Finished k-point number 15 with #bands= 458 26) Finished k-point number 27 with #bands= 454 40) Finished k-point number 41 with #bands= 460 23) Finished k-point number 24 with #bands= 458 18) Finished k-point number 19 with #bands= 452 24) Finished k-point number 25 with #bands= 454 22) Finished k-point number 23 with #bands= 458 29) Finished k-point number 30 with #bands= 452 25) Finished k-point number 26 with #bands= 452 7) Finished k-point number 8 with #bands= 456 15) Finished k-point number 16 with #bands= 458 42) Finished k-point number 43 with #bands= 452 10) Finished k-point number 11 with #bands= 458 27) Finished k-point number 28 with #bands= 452 43) Finished k-point number 44 with #bands= 452 46) Finished k-point number 47 with #bands= 456 6) Finished k-point number 7 with #bands= 452 16) Finished k-point number 17 with #bands= 458 45) Finished k-point number 46 with #bands= 452 20) Finished k-point number 21 with #bands= 452 19) Finished k-point number 20 with #bands= 454 13) Finished k-point number 14 with #bands= 452 17) Finished k-point number 18 with #bands= 458 41) Finished k-point number 42 with #bands= 460 12) Finished k-point number 13 with #bands= 454 8) Finished k-point number 9 with #bands= 456 9) Finished k-point number 10 with #bands= 458 21) Finished k-point number 22 with #bands= 456 Eimp= -1.39549106731570 -1.39589935805164 -2.20350423462947 -2.20347645224514 -2.14336773292181 -2.14354038564842 1.803804911174513E-008 1.803804911361602E-008 5.678515622142208E-003 -1.39549106731417 -1.39589935804918 -2.20350423462751 -2.20347645224210 -2.14336773289340 -2.14354038560814 1.803835853209501E-008 1.803835854681396E-008 5.678515621831937E-003 -1.39549106731416 -1.39589935804918 -2.20350423462751 -2.20347645224210 -2.14336773289339 -2.14354038560816 5.976533143557370E-009 5.976533144488082E-009 5.678515621833181E-003 -1.39549106731570 -1.39589935805164 -2.20350423462947 -2.20347645224514 -2.14336773292181 -2.14354038564842 5.976223673951981E-009 5.976223689156682E-009 5.678515622143647E-003 -1.39549723501656 -1.39590556654650 -2.20350928324629 -2.20348148771728 -2.14337848586750 -2.14355117304642 -5.380207078632859E-007 -5.380207078744282E-007 5.684526270317876E-003 -1.39549723501893 -1.39590556654898 -2.20350928324823 -2.20348148772032 -2.14337848587872 -2.14355117308282 -5.380210238977344E-007 -5.380210239096269E-007 5.684526270621299E-003 -1.39549723501892 -1.39590556654898 -2.20350928324811 -2.20348148772020 -2.14337848587887 -2.14355117308297 5.620362878277530E-007 5.620362878503075E-007 5.684526270566525E-003 -1.39549723501656 -1.39590556654650 -2.20350928324616 -2.20348148771716 -2.14337848586764 -2.14355117304655 5.620366039436932E-007 5.620366039437393E-007 5.684526270262861E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.096979689718220E-009 9.096979689718220E-009 -5.616689032873141E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.097606601874261E-009 9.097606601874261E-009 -5.616689032653657E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.219361795319550E-009 7.219361795319550E-009 -5.616689032653521E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.218730426131123E-009 7.218730426131123E-009 -5.616689032873622E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.386791505517540E-007 -5.386791505517540E-007 -5.624000917255565E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.386801045660926E-007 -5.386801045660926E-007 -5.624000917444923E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.549956873189466E-007 5.549956873189466E-007 -5.624000918390893E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.549966414442871E-007 5.549966414442871E-007 -5.624000918202027E-004 =====>>> CPU TIME SUMMARY TOTAL : 579.4 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 31) Finished k-point number 32 with #bands= 452 33) Finished k-point number 34 with #bands= 456 4) Finished k-point number 5 with #bands= 454 14) Finished k-point number 15 with #bands= 458 26) Finished k-point number 27 with #bands= 454 1) Finished k-point number 2 with #bands= 456 5) Finished k-point number 6 with #bands= 454 36) Finished k-point number 37 with #bands= 454 30) Finished k-point number 31 with #bands= 452 34) Finished k-point number 35 with #bands= 456 32) Finished k-point number 33 with #bands= 452 35) Finished k-point number 36 with #bands= 454 23) Finished k-point number 24 with #bands= 458 21) Finished k-point number 22 with #bands= 456 28) Finished k-point number 29 with #bands= 454 22) Finished k-point number 23 with #bands= 458 47) Finished k-point number 48 with #bands= 460 3) Finished k-point number 4 with #bands= 456 2) Finished k-point number 3 with #bands= 458 29) Finished k-point number 30 with #bands= 452 27) Finished k-point number 28 with #bands= 452 20) Finished k-point number 21 with #bands= 452 44) Finished k-point number 45 with #bands= 452 43) Finished k-point number 44 with #bands= 452 39) Finished k-point number 40 with #bands= 456 0) Finished k-point number 1 with #bands= 458 15) Finished k-point number 16 with #bands= 458 38) Finished k-point number 39 with #bands= 454 46) Finished k-point number 47 with #bands= 456 48) Finished k-point number 49 with #bands= 464 19) Finished k-point number 20 with #bands= 454 37) Finished k-point number 38 with #bands= 454 25) Finished k-point number 26 with #bands= 452 24) Finished k-point number 25 with #bands= 454 11) Finished k-point number 12 with #bands= 452 40) Finished k-point number 41 with #bands= 460 6) Finished k-point number 7 with #bands= 452 45) Finished k-point number 46 with #bands= 452 17) Finished k-point number 18 with #bands= 458 18) Finished k-point number 19 with #bands= 452 16) Finished k-point number 17 with #bands= 458 12) Finished k-point number 13 with #bands= 454 42) Finished k-point number 43 with #bands= 452 8) Finished k-point number 9 with #bands= 456 41) Finished k-point number 42 with #bands= 460 13) Finished k-point number 14 with #bands= 452 7) Finished k-point number 8 with #bands= 456 10) Finished k-point number 11 with #bands= 458 9) Finished k-point number 10 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745158187076238 0.745158187076238 0.760977182357159 0.760977182357159 0.760545562215052 0.760545562215052 2.089030028747884E-009 2.089030028747884E-009 -4.219843465024064E-004 0.745158187075062 0.745158187076215 0.760977182357159 0.760977182357159 0.760545562215052 0.760545562215052 2.089948390168827E-009 2.089948390168827E-009 -4.219843464990969E-004 0.745158187075059 0.745158187076215 0.760977182357159 0.760977182357159 0.760545562215051 0.760545562215051 1.006970259258919E-008 1.006970259258919E-008 -4.219843464988936E-004 0.745158187076238 0.745158187076238 0.760977182357159 0.760977182357159 0.760545562215051 0.760545562215051 1.006878239297107E-008 1.006878239297107E-008 -4.219843465023626E-004 0.745158812009020 0.745158812009614 0.760975597119295 0.760975597119294 0.760545162060560 0.760545162060561 -4.430470394090526E-007 -4.430470394090526E-007 -4.233910468385125E-004 0.745158812009630 0.745158812009630 0.760975597119294 0.760975597119295 0.760545162060561 0.760545162060560 -4.430476860317789E-007 -4.430476860317789E-007 -4.233910468581537E-004 0.745158812009630 0.745158812009630 0.760975597119269 0.760975597119268 0.760545162060592 0.760545162060593 4.552053769374049E-007 4.552053769374049E-007 -4.233910469377323E-004 0.745158812009027 0.745158812009614 0.760975597119268 0.760975597119268 0.760545162060592 0.760545162060592 4.552060202697564E-007 4.552060202697564E-007 -4.233910469181237E-004 4) Finished k-point number 5 with #bands= 454 35) Finished k-point number 36 with #bands= 454 36) Finished k-point number 37 with #bands= 454 32) Finished k-point number 33 with #bands= 452 1) Finished k-point number 2 with #bands= 456 5) Finished k-point number 6 with #bands= 454 39) Finished k-point number 40 with #bands= 456 38) Finished k-point number 39 with #bands= 454 29) Finished k-point number 30 with #bands= 452 3) Finished k-point number 4 with #bands= 456 2) Finished k-point number 3 with #bands= 458 48) Finished k-point number 49 with #bands= 464 0) Finished k-point number 1 with #bands= 458 23) Finished k-point number 24 with #bands= 458 33) Finished k-point number 34 with #bands= 456 25) Finished k-point number 26 with #bands= 452 30) Finished k-point number 31 with #bands= 452 31) Finished k-point number 32 with #bands= 452 37) Finished k-point number 38 with #bands= 454 34) Finished k-point number 35 with #bands= 456 24) Finished k-point number 25 with #bands= 454 47) Finished k-point number 48 with #bands= 460 20) Finished k-point number 21 with #bands= 452 28) Finished k-point number 29 with #bands= 454 27) Finished k-point number 28 with #bands= 452 26) Finished k-point number 27 with #bands= 454 22) Finished k-point number 23 with #bands= 458 46) Finished k-point number 47 with #bands= 456 7) Finished k-point number 8 with #bands= 456 16) Finished k-point number 17 with #bands= 458 10) Finished k-point number 11 with #bands= 458 45) Finished k-point number 46 with #bands= 452 18) Finished k-point number 19 with #bands= 452 14) Finished k-point number 15 with #bands= 458 44) Finished k-point number 45 with #bands= 452 40) Finished k-point number 41 with #bands= 460 8) Finished k-point number 9 with #bands= 456 19) Finished k-point number 20 with #bands= 454 21) Finished k-point number 22 with #bands= 456 11) Finished k-point number 12 with #bands= 452 9) Finished k-point number 10 with #bands= 458 43) Finished k-point number 44 with #bands= 452 41) Finished k-point number 42 with #bands= 460 13) Finished k-point number 14 with #bands= 452 17) Finished k-point number 18 with #bands= 458 42) Finished k-point number 43 with #bands= 452 15) Finished k-point number 16 with #bands= 458 6) Finished k-point number 7 with #bands= 452 12) Finished k-point number 13 with #bands= 454 Eimp= -1.39529233002945 -1.39570087653472 -2.20329430622582 -2.20326671688593 -2.14318404820925 -2.14335692578949 2.952943358830917E-008 2.952943356927046E-008 5.689406915691136E-003 -1.39529233002612 -1.39570087653220 -2.20329430622383 -2.20326671688288 -2.14318404818336 -2.14335692574833 2.952975378227949E-008 2.952975377391398E-008 5.689406915375231E-003 -1.39529233002612 -1.39570087653220 -2.20329430622383 -2.20326671688289 -2.14318404818337 -2.14335692574834 -5.518450064689789E-009 -5.518450066359420E-009 5.689406915374527E-003 -1.39529233002946 -1.39570087653472 -2.20329430622582 -2.20326671688593 -2.14318404820925 -2.14335692578948 -5.518770156113643E-009 -5.518770161458197E-009 5.689406915691348E-003 -1.39530434618808 -1.39571292037254 -2.20330020897594 -2.20327258895644 -2.14319815953779 -2.14337102757309 -6.323970178834867E-007 -6.323970178796725E-007 5.692582905267673E-003 -1.39530434619031 -1.39571292037508 -2.20330020897793 -2.20327258895947 -2.14319815955148 -2.14337102760790 -6.323973168315802E-007 -6.323973168199489E-007 5.692582905584623E-003 -1.39530434619031 -1.39571292037508 -2.20330020897780 -2.20327258895934 -2.14319815955165 -2.14337102760806 6.564092016616010E-007 6.564092016556781E-007 5.692582905522815E-003 -1.39530434618809 -1.39571292037254 -2.20330020897580 -2.20327258895630 -2.14319815953795 -2.14337102757325 6.564095006719826E-007 6.564095006513639E-007 5.692582905206322E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.803471886203029E-009 2.803471886203029E-009 -5.603847201753853E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.804704324978547E-009 2.804704324978547E-009 -5.603847201709946E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.351350997094762E-008 1.351350997094762E-008 -5.603847201707284E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.351227507449244E-008 1.351227507449244E-008 -5.603847201753183E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.945672684373100E-007 -5.945672684373100E-007 -5.622531331095536E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.945681362034852E-007 -5.945681362034852E-007 -5.622531331356280E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.108837064029987E-007 6.108837064029987E-007 -5.622531332413165E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.108845697597689E-007 6.108845697597689E-007 -5.622531332152843E-004 =====>>> CPU TIME SUMMARY TOTAL : 588.3 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 36) Finished k-point number 37 with #bands= 454 3) Finished k-point number 4 with #bands= 456 25) Finished k-point number 26 with #bands= 452 35) Finished k-point number 36 with #bands= 454 27) Finished k-point number 28 with #bands= 452 23) Finished k-point number 24 with #bands= 458 39) Finished k-point number 40 with #bands= 456 5) Finished k-point number 6 with #bands= 454 7) Finished k-point number 8 with #bands= 456 18) Finished k-point number 19 with #bands= 452 19) Finished k-point number 20 with #bands= 454 37) Finished k-point number 38 with #bands= 454 26) Finished k-point number 27 with #bands= 454 48) Finished k-point number 49 with #bands= 464 30) Finished k-point number 31 with #bands= 452 33) Finished k-point number 34 with #bands= 456 46) Finished k-point number 47 with #bands= 456 47) Finished k-point number 48 with #bands= 460 9) Finished k-point number 10 with #bands= 458 1) Finished k-point number 2 with #bands= 456 15) Finished k-point number 16 with #bands= 458 22) Finished k-point number 23 with #bands= 458 4) Finished k-point number 5 with #bands= 454 38) Finished k-point number 39 with #bands= 454 32) Finished k-point number 33 with #bands= 452 20) Finished k-point number 21 with #bands= 452 28) Finished k-point number 29 with #bands= 454 16) Finished k-point number 17 with #bands= 458 2) Finished k-point number 3 with #bands= 458 0) Finished k-point number 1 with #bands= 458 6) Finished k-point number 7 with #bands= 452 42) Finished k-point number 43 with #bands= 452 12) Finished k-point number 13 with #bands= 454 10) Finished k-point number 11 with #bands= 458 29) Finished k-point number 30 with #bands= 452 24) Finished k-point number 25 with #bands= 454 45) Finished k-point number 46 with #bands= 452 31) Finished k-point number 32 with #bands= 452 34) Finished k-point number 35 with #bands= 456 44) Finished k-point number 45 with #bands= 452 41) Finished k-point number 42 with #bands= 460 13) Finished k-point number 14 with #bands= 452 21) Finished k-point number 22 with #bands= 456 43) Finished k-point number 44 with #bands= 452 17) Finished k-point number 18 with #bands= 458 40) Finished k-point number 41 with #bands= 460 14) Finished k-point number 15 with #bands= 458 11) Finished k-point number 12 with #bands= 452 8) Finished k-point number 9 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745163368342359 0.745163368342360 0.760982270183002 0.760982270183002 0.760550477727536 0.760550477727536 5.713772738407448E-009 5.713772738407448E-009 -4.232401190772268E-004 0.745163368343076 0.745163368342377 0.760982270183002 0.760982270183002 0.760550477727536 0.760550477727536 5.713806149402323E-009 5.713806149402323E-009 -4.232401190475167E-004 0.745163368343074 0.745163368342377 0.760982270183002 0.760982270183002 0.760550477727536 0.760550477727536 6.444203563028870E-009 6.444203563028870E-009 -4.232401190477955E-004 0.745163368342360 0.745163368342360 0.760982270183002 0.760982270183002 0.760550477727536 0.760550477727536 6.444169151946442E-009 6.444169151946442E-009 -4.232401190772882E-004 0.745163341614752 0.745163341614130 0.760981237708390 0.760981237708390 0.760550081292642 0.760550081292642 -4.338021295888515E-007 -4.338021295888515E-007 -4.230475817669007E-004 0.745163341614108 0.745163341614108 0.760981237708390 0.760981237708390 0.760550081292642 0.760550081292642 -4.338022059225801E-007 -4.338022059225801E-007 -4.230475817983247E-004 0.745163341614109 0.745163341614108 0.760981237708365 0.760981237708365 0.760550081292673 0.760550081292672 4.459601691862600E-007 4.459601691862600E-007 -4.230475818760965E-004 0.745163341614751 0.745163341614131 0.760981237708365 0.760981237708365 0.760550081292672 0.760550081292673 4.459602462393647E-007 4.459602462393647E-007 -4.230475818448810E-004 37) Finished k-point number 38 with #bands= 454 32) Finished k-point number 33 with #bands= 452 3) Finished k-point number 4 with #bands= 456 31) Finished k-point number 32 with #bands= 452 35) Finished k-point number 36 with #bands= 454 34) Finished k-point number 35 with #bands= 456 1) Finished k-point number 2 with #bands= 456 5) Finished k-point number 6 with #bands= 454 2) Finished k-point number 3 with #bands= 458 30) Finished k-point number 31 with #bands= 452 36) Finished k-point number 37 with #bands= 454 4) Finished k-point number 5 with #bands= 454 27) Finished k-point number 28 with #bands= 452 48) Finished k-point number 49 with #bands= 464 33) Finished k-point number 34 with #bands= 456 39) Finished k-point number 40 with #bands= 456 0) Finished k-point number 1 with #bands= 458 38) Finished k-point number 39 with #bands= 454 23) Finished k-point number 24 with #bands= 458 46) Finished k-point number 47 with #bands= 456 25) Finished k-point number 26 with #bands= 452 13) Finished k-point number 14 with #bands= 452 44) Finished k-point number 45 with #bands= 452 29) Finished k-point number 30 with #bands= 452 6) Finished k-point number 7 with #bands= 452 47) Finished k-point number 48 with #bands= 460 11) Finished k-point number 12 with #bands= 452 26) Finished k-point number 27 with #bands= 454 28) Finished k-point number 29 with #bands= 454 22) Finished k-point number 23 with #bands= 458 14) Finished k-point number 15 with #bands= 458 18) Finished k-point number 19 with #bands= 452 24) Finished k-point number 25 with #bands= 454 10) Finished k-point number 11 with #bands= 458 12) Finished k-point number 13 with #bands= 454 9) Finished k-point number 10 with #bands= 458 42) Finished k-point number 43 with #bands= 452 8) Finished k-point number 9 with #bands= 456 21) Finished k-point number 22 with #bands= 456 20) Finished k-point number 21 with #bands= 452 40) Finished k-point number 41 with #bands= 460 7) Finished k-point number 8 with #bands= 456 19) Finished k-point number 20 with #bands= 454 15) Finished k-point number 16 with #bands= 458 41) Finished k-point number 42 with #bands= 460 43) Finished k-point number 44 with #bands= 452 45) Finished k-point number 46 with #bands= 452 17) Finished k-point number 18 with #bands= 458 16) Finished k-point number 17 with #bands= 458 Eimp= -1.39571236121560 -1.39612027948238 -2.20374351584806 -2.20371573293104 -2.14357373762679 -2.14374633134892 1.526374773683364E-008 1.526374774002269E-008 5.660833633832347E-003 -1.39571236121584 -1.39612027947996 -2.20374351584612 -2.20371573292799 -2.14357373759939 -2.14374633130551 1.526405124994832E-008 1.526405124982757E-008 5.660833633520884E-003 -1.39571236121583 -1.39612027947996 -2.20374351584612 -2.20371573292799 -2.14357373759941 -2.14374633130551 8.754220815983989E-009 8.754220800620387E-009 5.660833633520809E-003 -1.39571236121561 -1.39612027948238 -2.20374351584806 -2.20371573293104 -2.14357373762679 -2.14374633134892 8.753917331866819E-009 8.753917331438528E-009 5.660833633832645E-003 -1.39572636078374 -1.39613428599378 -2.20374669117242 -2.20371888405297 -2.14358766527612 -2.14376019831101 -6.235175457583405E-007 -6.235175457692305E-007 5.658822770766229E-003 -1.39572636078363 -1.39613428599619 -2.20374669117434 -2.20371888405601 -2.14358766528795 -2.14376019834879 -6.235178437059326E-007 -6.235178437046487E-007 5.658822771076928E-003 -1.39572636078363 -1.39613428599619 -2.20374669117421 -2.20371888405588 -2.14358766528811 -2.14376019834895 6.475365754723277E-007 6.475365754734599E-007 5.658822771015295E-003 -1.39572636078374 -1.39613428599378 -2.20374669117229 -2.20371888405284 -2.14358766527628 -2.14376019831117 6.475368734868381E-007 6.475368734906870E-007 5.658822770705113E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.667812154295412E-009 7.667812154295412E-009 -5.620485219986484E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.667856996157798E-009 7.667856996157798E-009 -5.620485219591871E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.648041272645022E-009 8.648041272645022E-009 -5.620485219595570E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.647995097600742E-009 8.647995097600742E-009 -5.620485219987246E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.821570994740987E-007 -5.821570994740987E-007 -5.617932301677944E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.821572019060225E-007 -5.821572019060225E-007 -5.617932302095313E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.984730384292019E-007 5.984730384292019E-007 -5.617932303128172E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.984731418460222E-007 5.984731418460222E-007 -5.617932302713530E-004 =====>>> CPU TIME SUMMARY TOTAL : 621.0 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 5) Finished k-point number 6 with #bands= 454 22) Finished k-point number 23 with #bands= 458 15) Finished k-point number 16 with #bands= 458 48) Finished k-point number 49 with #bands= 464 46) Finished k-point number 47 with #bands= 456 38) Finished k-point number 39 with #bands= 454 17) Finished k-point number 18 with #bands= 458 19) Finished k-point number 20 with #bands= 454 30) Finished k-point number 31 with #bands= 452 45) Finished k-point number 46 with #bands= 452 39) Finished k-point number 40 with #bands= 456 31) Finished k-point number 32 with #bands= 452 18) Finished k-point number 19 with #bands= 452 1) Finished k-point number 2 with #bands= 456 35) Finished k-point number 36 with #bands= 454 36) Finished k-point number 37 with #bands= 454 37) Finished k-point number 38 with #bands= 454 26) Finished k-point number 27 with #bands= 454 47) Finished k-point number 48 with #bands= 460 25) Finished k-point number 26 with #bands= 452 33) Finished k-point number 34 with #bands= 456 23) Finished k-point number 24 with #bands= 458 34) Finished k-point number 35 with #bands= 456 4) Finished k-point number 5 with #bands= 454 16) Finished k-point number 17 with #bands= 458 44) Finished k-point number 45 with #bands= 452 32) Finished k-point number 33 with #bands= 452 0) Finished k-point number 1 with #bands= 458 27) Finished k-point number 28 with #bands= 452 20) Finished k-point number 21 with #bands= 452 3) Finished k-point number 4 with #bands= 456 24) Finished k-point number 25 with #bands= 454 2) Finished k-point number 3 with #bands= 458 28) Finished k-point number 29 with #bands= 454 14) Finished k-point number 15 with #bands= 458 29) Finished k-point number 30 with #bands= 452 21) Finished k-point number 22 with #bands= 456 43) Finished k-point number 44 with #bands= 452 12) Finished k-point number 13 with #bands= 454 11) Finished k-point number 12 with #bands= 452 7) Finished k-point number 8 with #bands= 456 9) Finished k-point number 10 with #bands= 458 42) Finished k-point number 43 with #bands= 452 41) Finished k-point number 42 with #bands= 460 8) Finished k-point number 9 with #bands= 456 10) Finished k-point number 11 with #bands= 458 13) Finished k-point number 14 with #bands= 452 6) Finished k-point number 7 with #bands= 452 40) Finished k-point number 41 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745161172660592 0.745161172660592 0.760980916848423 0.760980916848423 0.760548868171995 0.760548868171995 7.567407473634275E-009 7.567407473634275E-009 -4.236242431337405E-004 0.745161172660643 0.745161172660594 0.760980916848423 0.760980916848423 0.760548868171995 0.760548868171995 7.567750706462466E-009 7.567750706462466E-009 -4.236242431292738E-004 0.745161172660645 0.745161172660594 0.760980916848423 0.760980916848423 0.760548868171996 0.760548868171996 4.590746869259759E-009 4.590746869259759E-009 -4.236242431295388E-004 0.745161172660592 0.745161172660592 0.760980916848423 0.760980916848423 0.760548868171996 0.760548868171996 4.590404961716697E-009 4.590404961716697E-009 -4.236242431339105E-004 0.745159828340297 0.745159828340285 0.760981370089165 0.760981370089165 0.760548410158489 0.760548410158488 -4.529570954874465E-007 -4.529570954874465E-007 -4.241426856918818E-004 0.745159828340287 0.745159828340287 0.760981370089165 0.760981370089165 0.760548410158488 0.760548410158489 -4.529574524510714E-007 -4.529574524510714E-007 -4.241426857004568E-004 0.745159828340288 0.745159828340288 0.760981370089138 0.760981370089138 0.760548410158522 0.760548410158521 4.651151983346223E-007 4.651151983346223E-007 -4.241426857829097E-004 0.745159828340299 0.745159828340285 0.760981370089138 0.760981370089138 0.760548410158521 0.760548410158522 4.651155546091690E-007 4.651155546091690E-007 -4.241426857744327E-004 32) Finished k-point number 33 with #bands= 452 2) Finished k-point number 3 with #bands= 458 5) Finished k-point number 6 with #bands= 454 35) Finished k-point number 36 with #bands= 454 33) Finished k-point number 34 with #bands= 456 48) Finished k-point number 49 with #bands= 464 47) Finished k-point number 48 with #bands= 460 36) Finished k-point number 37 with #bands= 454 34) Finished k-point number 35 with #bands= 456 37) Finished k-point number 38 with #bands= 454 30) Finished k-point number 31 with #bands= 452 31) Finished k-point number 32 with #bands= 452 46) Finished k-point number 47 with #bands= 456 27) Finished k-point number 28 with #bands= 452 4) Finished k-point number 5 with #bands= 454 22) Finished k-point number 23 with #bands= 458 26) Finished k-point number 27 with #bands= 454 1) Finished k-point number 2 with #bands= 456 24) Finished k-point number 25 with #bands= 454 28) Finished k-point number 29 with #bands= 454 39) Finished k-point number 40 with #bands= 456 38) Finished k-point number 39 with #bands= 454 0) Finished k-point number 1 with #bands= 458 23) Finished k-point number 24 with #bands= 458 6) Finished k-point number 7 with #bands= 452 29) Finished k-point number 30 with #bands= 452 3) Finished k-point number 4 with #bands= 456 25) Finished k-point number 26 with #bands= 452 18) Finished k-point number 19 with #bands= 452 20) Finished k-point number 21 with #bands= 452 40) Finished k-point number 41 with #bands= 460 21) Finished k-point number 22 with #bands= 456 9) Finished k-point number 10 with #bands= 458 45) Finished k-point number 46 with #bands= 452 14) Finished k-point number 15 with #bands= 458 17) Finished k-point number 18 with #bands= 458 12) Finished k-point number 13 with #bands= 454 41) Finished k-point number 42 with #bands= 460 7) Finished k-point number 8 with #bands= 456 16) Finished k-point number 17 with #bands= 458 43) Finished k-point number 44 with #bands= 452 15) Finished k-point number 16 with #bands= 458 44) Finished k-point number 45 with #bands= 452 19) Finished k-point number 20 with #bands= 454 13) Finished k-point number 14 with #bands= 452 11) Finished k-point number 12 with #bands= 452 8) Finished k-point number 9 with #bands= 456 10) Finished k-point number 11 with #bands= 458 42) Finished k-point number 43 with #bands= 452 Eimp= -1.39557721632759 -1.39598520066195 -2.20358566677255 -2.20355781310985 -2.14344513252173 -2.14361770823639 1.012911609347841E-008 1.012911610369427E-008 5.667543487937443E-003 -1.39557721632656 -1.39598520065953 -2.20358566677060 -2.20355781310681 -2.14344513249508 -2.14361770819122 1.012940081276712E-008 1.012940081125525E-008 5.667543487601366E-003 -1.39557721632657 -1.39598520065953 -2.20358566677061 -2.20355781310680 -2.14344513249508 -2.14361770819123 1.388623347937567E-008 1.388623348098089E-008 5.667543487601316E-003 -1.39557721632759 -1.39598520066195 -2.20358566677255 -2.20355781310985 -2.14344513252173 -2.14361770823639 1.388594878474537E-008 1.388594879696708E-008 5.667543487937674E-003 -1.39558029495612 -1.39598829355436 -2.20360271261005 -2.20357484299938 -2.14346117644100 -2.14363368167494 -6.867473681284972E-007 -6.867473681412259E-007 5.670322587039370E-003 -1.39558029495719 -1.39598829355686 -2.20360271261198 -2.20357484300241 -2.14346117645249 -2.14363368171256 -6.867476702564459E-007 -6.867476702540603E-007 5.670322587362085E-003 -1.39558029495719 -1.39598829355686 -2.20360271261184 -2.20357484300227 -2.14346117645266 -2.14363368171272 7.107638584673805E-007 7.107638584518607E-007 5.670322587297385E-003 -1.39558029495612 -1.39598829355436 -2.20360271260990 -2.20357484299923 -2.14346117644116 -2.14363368167513 7.107641606481681E-007 7.107641606564081E-007 5.670322586974866E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.015539691014794E-008 1.015539691014794E-008 -5.625599547594534E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.015585752328517E-008 1.015585752328517E-008 -5.625599547535149E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.160743519566296E-009 6.160743519566296E-009 -5.625599547538677E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.160284686591809E-009 6.160284686591809E-009 -5.625599547596748E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -6.078656930486277E-007 -6.078656930486277E-007 -5.632487708516690E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -6.078661720925428E-007 -6.078661720925428E-007 -5.632487708630548E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.241817938249255E-007 6.241817938249255E-007 -5.632487709725570E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.241822719441566E-007 6.241822719441566E-007 -5.632487709613008E-004 =====>>> CPU TIME SUMMARY TOTAL : 629.0 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 25) Finished k-point number 26 with #bands= 452 29) Finished k-point number 30 with #bands= 452 28) Finished k-point number 29 with #bands= 454 42) Finished k-point number 43 with #bands= 452 41) Finished k-point number 42 with #bands= 460 15) Finished k-point number 16 with #bands= 458 9) Finished k-point number 10 with #bands= 458 6) Finished k-point number 7 with #bands= 452 37) Finished k-point number 38 with #bands= 454 5) Finished k-point number 6 with #bands= 454 24) Finished k-point number 25 with #bands= 454 22) Finished k-point number 23 with #bands= 458 47) Finished k-point number 48 with #bands= 460 31) Finished k-point number 32 with #bands= 452 33) Finished k-point number 34 with #bands= 456 34) Finished k-point number 35 with #bands= 456 0) Finished k-point number 1 with #bands= 458 11) Finished k-point number 12 with #bands= 452 13) Finished k-point number 14 with #bands= 452 7) Finished k-point number 8 with #bands= 456 12) Finished k-point number 13 with #bands= 454 40) Finished k-point number 41 with #bands= 460 3) Finished k-point number 4 with #bands= 456 26) Finished k-point number 27 with #bands= 454 23) Finished k-point number 24 with #bands= 458 27) Finished k-point number 28 with #bands= 452 2) Finished k-point number 3 with #bands= 458 39) Finished k-point number 40 with #bands= 456 10) Finished k-point number 11 with #bands= 458 46) Finished k-point number 47 with #bands= 456 8) Finished k-point number 9 with #bands= 456 32) Finished k-point number 33 with #bands= 452 38) Finished k-point number 39 with #bands= 454 4) Finished k-point number 5 with #bands= 454 1) Finished k-point number 2 with #bands= 456 30) Finished k-point number 31 with #bands= 452 16) Finished k-point number 17 with #bands= 458 19) Finished k-point number 20 with #bands= 454 36) Finished k-point number 37 with #bands= 454 48) Finished k-point number 49 with #bands= 464 35) Finished k-point number 36 with #bands= 454 20) Finished k-point number 21 with #bands= 452 21) Finished k-point number 22 with #bands= 456 44) Finished k-point number 45 with #bands= 452 18) Finished k-point number 19 with #bands= 452 17) Finished k-point number 18 with #bands= 458 45) Finished k-point number 46 with #bands= 452 43) Finished k-point number 44 with #bands= 452 14) Finished k-point number 15 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745163607366388 0.745163607366388 0.760980596234232 0.760980596234232 0.760549894990535 0.760549894990535 7.241994580900611E-009 7.241994580900611E-009 -4.214787565193860E-004 0.745163607365893 0.745163607366366 0.760980596234232 0.760980596234232 0.760549894990535 0.760549894990535 7.242574806850627E-009 7.242574806850627E-009 -4.214787565068363E-004 0.745163607365892 0.745163607366366 0.760980596234232 0.760980596234232 0.760549894990536 0.760549894990535 4.916573316429296E-009 4.916573316429296E-009 -4.214787565070922E-004 0.745163607366388 0.745163607366388 0.760980596234232 0.760980596234232 0.760549894990536 0.760549894990536 4.915992661187917E-009 4.915992661187917E-009 -4.214787565195460E-004 0.745164075059132 0.745164075059340 0.760979502055642 0.760979502055642 0.760549586996246 0.760549586996245 -3.978627642248470E-007 -3.978627642248470E-007 -4.224496134701555E-004 0.745164075059360 0.745164075059360 0.760979502055642 0.760979502055642 0.760549586996245 0.760549586996246 -3.978632125267616E-007 -3.978632125267616E-007 -4.224496134874753E-004 0.745164075059362 0.745164075059362 0.760979502055619 0.760979502055619 0.760549586996273 0.760549586996273 4.100210974255674E-007 4.100210974255674E-007 -4.224496135577615E-004 0.745164075059129 0.745164075059341 0.760979502055619 0.760979502055619 0.760549586996273 0.760549586996273 4.100215477392719E-007 4.100215477392719E-007 -4.224496135402974E-004 37) Finished k-point number 38 with #bands= 454 1) Finished k-point number 2 with #bands= 456 35) Finished k-point number 36 with #bands= 454 34) Finished k-point number 35 with #bands= 456 36) Finished k-point number 37 with #bands= 454 46) Finished k-point number 47 with #bands= 456 30) Finished k-point number 31 with #bands= 452 31) Finished k-point number 32 with #bands= 452 32) Finished k-point number 33 with #bands= 452 33) Finished k-point number 34 with #bands= 456 24) Finished k-point number 25 with #bands= 454 26) Finished k-point number 27 with #bands= 454 27) Finished k-point number 28 with #bands= 452 2) Finished k-point number 3 with #bands= 458 5) Finished k-point number 6 with #bands= 454 23) Finished k-point number 24 with #bands= 458 48) Finished k-point number 49 with #bands= 464 16) Finished k-point number 17 with #bands= 458 29) Finished k-point number 30 with #bands= 452 11) Finished k-point number 12 with #bands= 452 28) Finished k-point number 29 with #bands= 454 0) Finished k-point number 1 with #bands= 458 20) Finished k-point number 21 with #bands= 452 3) Finished k-point number 4 with #bands= 456 4) Finished k-point number 5 with #bands= 454 22) Finished k-point number 23 with #bands= 458 38) Finished k-point number 39 with #bands= 454 47) Finished k-point number 48 with #bands= 460 41) Finished k-point number 42 with #bands= 460 25) Finished k-point number 26 with #bands= 452 39) Finished k-point number 40 with #bands= 456 10) Finished k-point number 11 with #bands= 458 21) Finished k-point number 22 with #bands= 456 42) Finished k-point number 43 with #bands= 452 18) Finished k-point number 19 with #bands= 452 13) Finished k-point number 14 with #bands= 452 15) Finished k-point number 16 with #bands= 458 12) Finished k-point number 13 with #bands= 454 8) Finished k-point number 9 with #bands= 456 44) Finished k-point number 45 with #bands= 452 6) Finished k-point number 7 with #bands= 452 7) Finished k-point number 8 with #bands= 456 45) Finished k-point number 46 with #bands= 452 43) Finished k-point number 44 with #bands= 452 9) Finished k-point number 10 with #bands= 458 40) Finished k-point number 41 with #bands= 460 14) Finished k-point number 15 with #bands= 458 19) Finished k-point number 20 with #bands= 454 17) Finished k-point number 18 with #bands= 458 Eimp= -1.39565122344375 -1.39605927979925 -2.20365880312478 -2.20363088989064 -2.14352706063136 -2.14369972226146 1.557033529171346E-008 1.557033529323982E-008 5.680124128475524E-003 -1.39565122344171 -1.39605927979678 -2.20365880312280 -2.20363088988759 -2.14352706060392 -2.14369972221799 1.557062933470049E-008 1.557062933353156E-008 5.680124128194952E-003 -1.39565122344171 -1.39605927979678 -2.20365880312280 -2.20363088988760 -2.14352706060393 -2.14369972221798 8.446595082317522E-009 8.446595075482761E-009 5.680124128193244E-003 -1.39565122344375 -1.39605927979925 -2.20365880312478 -2.20363088989064 -2.14352706063136 -2.14369972226146 8.446301153855240E-009 8.446301143142267E-009 5.680124128475278E-003 -1.39565877229989 -1.39606685887851 -2.20366367058488 -2.20363571742911 -2.14353810550487 -2.14371074080434 -5.356064352982794E-007 -5.356064352904136E-007 5.683470565569193E-003 -1.39565877230141 -1.39606685888106 -2.20366367058684 -2.20363571743214 -2.14353810551614 -2.14371074083849 -5.356067582010296E-007 -5.356067582059383E-007 5.683470565843806E-003 -1.39565877230141 -1.39606685888106 -2.20366367058672 -2.20363571743202 -2.14353810551629 -2.14371074083863 5.596248787350006E-007 5.596248787296552E-007 5.683470565789805E-003 -1.39565877229988 -1.39606685887851 -2.20366367058476 -2.20363571742899 -2.14353810550501 -2.14371074080449 5.596252018147591E-007 5.596252018130850E-007 5.683470565515270E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.718663803409302E-009 9.718663803409302E-009 -5.597100181016373E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.719442462436370E-009 9.719442462436370E-009 -5.597100180849759E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.597978303287946E-009 6.597978303287946E-009 -5.597100180853188E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.597199071553595E-009 6.597199071553595E-009 -5.597100181018470E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.339263895599926E-007 -5.339263895599926E-007 -5.609995116779699E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.339269911726160E-007 -5.339269911726160E-007 -5.609995117009627E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.502427064680537E-007 5.502427064680537E-007 -5.609995117943102E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.502433107851467E-007 5.502433107851467E-007 -5.609995117711216E-004 =====>>> CPU TIME SUMMARY TOTAL : 618.6 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 1) Finished k-point number 2 with #bands= 456 27) Finished k-point number 28 with #bands= 452 23) Finished k-point number 24 with #bands= 458 32) Finished k-point number 33 with #bands= 452 26) Finished k-point number 27 with #bands= 454 46) Finished k-point number 47 with #bands= 456 39) Finished k-point number 40 with #bands= 456 3) Finished k-point number 4 with #bands= 456 2) Finished k-point number 3 with #bands= 458 29) Finished k-point number 30 with #bands= 452 25) Finished k-point number 26 with #bands= 452 30) Finished k-point number 31 with #bands= 452 22) Finished k-point number 23 with #bands= 458 47) Finished k-point number 48 with #bands= 460 31) Finished k-point number 32 with #bands= 452 36) Finished k-point number 37 with #bands= 454 35) Finished k-point number 36 with #bands= 454 33) Finished k-point number 34 with #bands= 456 37) Finished k-point number 38 with #bands= 454 34) Finished k-point number 35 with #bands= 456 16) Finished k-point number 17 with #bands= 458 48) Finished k-point number 49 with #bands= 464 24) Finished k-point number 25 with #bands= 454 15) Finished k-point number 16 with #bands= 458 5) Finished k-point number 6 with #bands= 454 28) Finished k-point number 29 with #bands= 454 38) Finished k-point number 39 with #bands= 454 0) Finished k-point number 1 with #bands= 458 4) Finished k-point number 5 with #bands= 454 44) Finished k-point number 45 with #bands= 452 18) Finished k-point number 19 with #bands= 452 43) Finished k-point number 44 with #bands= 452 20) Finished k-point number 21 with #bands= 452 21) Finished k-point number 22 with #bands= 456 14) Finished k-point number 15 with #bands= 458 17) Finished k-point number 18 with #bands= 458 42) Finished k-point number 43 with #bands= 452 8) Finished k-point number 9 with #bands= 456 11) Finished k-point number 12 with #bands= 452 45) Finished k-point number 46 with #bands= 452 19) Finished k-point number 20 with #bands= 454 7) Finished k-point number 8 with #bands= 456 9) Finished k-point number 10 with #bands= 458 13) Finished k-point number 14 with #bands= 452 41) Finished k-point number 42 with #bands= 460 12) Finished k-point number 13 with #bands= 454 10) Finished k-point number 11 with #bands= 458 6) Finished k-point number 7 with #bands= 452 40) Finished k-point number 41 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745156303109368 0.745156303109368 0.760972928511940 0.760972928511940 0.760542857271539 0.760542857271539 7.419232602404075E-009 7.419232602404075E-009 -4.218665108757093E-004 0.745156303108888 0.745156303109382 0.760972928511940 0.760972928511940 0.760542857271539 0.760542857271539 7.419858423188140E-009 7.419858423188140E-009 -4.218665108537465E-004 0.745156303108888 0.745156303109382 0.760972928511940 0.760972928511940 0.760542857271539 0.760542857271539 4.739279451279272E-009 4.739279451279272E-009 -4.218665108537910E-004 0.745156303109368 0.745156303109368 0.760972928511940 0.760972928511940 0.760542857271539 0.760542857271539 4.738653412265364E-009 4.738653412265364E-009 -4.218665108757639E-004 0.745156105509240 0.745156105510274 0.760972641548154 0.760972641548154 0.760542651294531 0.760542651294531 -3.718453672570309E-007 -3.718453672570309E-007 -4.215897139279522E-004 0.745156105510276 0.745156105510276 0.760972641548154 0.760972641548154 0.760542651294531 0.760542651294531 -3.718462478903964E-007 -3.718462478903964E-007 -4.215897139395665E-004 0.745156105510276 0.745156105510276 0.760972641548132 0.760972641548132 0.760542651294557 0.760542651294557 3.840041035683813E-007 3.840041035683813E-007 -4.215897140052894E-004 0.745156105509240 0.745156105510274 0.760972641548132 0.760972641548132 0.760542651294557 0.760542651294557 3.840049846967267E-007 3.840049846967267E-007 -4.215897139937269E-004 37) Finished k-point number 38 with #bands= 454 31) Finished k-point number 32 with #bands= 452 36) Finished k-point number 37 with #bands= 454 32) Finished k-point number 33 with #bands= 452 30) Finished k-point number 31 with #bands= 452 35) Finished k-point number 36 with #bands= 454 38) Finished k-point number 39 with #bands= 454 34) Finished k-point number 35 with #bands= 456 4) Finished k-point number 5 with #bands= 454 26) Finished k-point number 27 with #bands= 454 33) Finished k-point number 34 with #bands= 456 28) Finished k-point number 29 with #bands= 454 48) Finished k-point number 49 with #bands= 464 27) Finished k-point number 28 with #bands= 452 3) Finished k-point number 4 with #bands= 456 8) Finished k-point number 9 with #bands= 456 0) Finished k-point number 1 with #bands= 458 39) Finished k-point number 40 with #bands= 456 25) Finished k-point number 26 with #bands= 452 1) Finished k-point number 2 with #bands= 456 18) Finished k-point number 19 with #bands= 452 2) Finished k-point number 3 with #bands= 458 42) Finished k-point number 43 with #bands= 452 23) Finished k-point number 24 with #bands= 458 19) Finished k-point number 20 with #bands= 454 47) Finished k-point number 48 with #bands= 460 24) Finished k-point number 25 with #bands= 454 29) Finished k-point number 30 with #bands= 452 22) Finished k-point number 23 with #bands= 458 46) Finished k-point number 47 with #bands= 456 5) Finished k-point number 6 with #bands= 454 10) Finished k-point number 11 with #bands= 458 21) Finished k-point number 22 with #bands= 456 13) Finished k-point number 14 with #bands= 452 45) Finished k-point number 46 with #bands= 452 9) Finished k-point number 10 with #bands= 458 41) Finished k-point number 42 with #bands= 460 7) Finished k-point number 8 with #bands= 456 12) Finished k-point number 13 with #bands= 454 11) Finished k-point number 12 with #bands= 452 44) Finished k-point number 45 with #bands= 452 6) Finished k-point number 7 with #bands= 452 43) Finished k-point number 44 with #bands= 452 20) Finished k-point number 21 with #bands= 452 40) Finished k-point number 41 with #bands= 460 15) Finished k-point number 16 with #bands= 458 17) Finished k-point number 18 with #bands= 458 16) Finished k-point number 17 with #bands= 458 14) Finished k-point number 15 with #bands= 458 Eimp= -1.39504087211119 -1.39544845568530 -2.20296946386899 -2.20294185368107 -2.14296541763870 -2.14313798240925 9.982766179048082E-009 9.982766177075789E-009 5.731909703782487E-003 -1.39504087210918 -1.39544845568282 -2.20296946386699 -2.20294185367803 -2.14296541760874 -2.14313798236709 9.983097233726544E-009 9.983097234318508E-009 5.731909703488166E-003 -1.39504087210918 -1.39544845568282 -2.20296946386699 -2.20294185367803 -2.14296541760875 -2.14313798236708 1.402355888208739E-008 1.402355887773211E-008 5.731909703487108E-003 -1.39504087211119 -1.39544845568530 -2.20296946386899 -2.20294185368107 -2.14296541763869 -2.14313798240925 1.402322785883770E-008 1.402322785479868E-008 5.731909703782108E-003 -1.39504487918444 -1.39545244974711 -2.20296995985002 -2.20294233314901 -2.14297236974151 -2.14314502218203 -4.760199929068832E-007 -4.760199928903834E-007 5.731128083243629E-003 -1.39504487918745 -1.39545244974967 -2.20296995985202 -2.20294233315205 -2.14297236975424 -2.14314502221447 -4.760203446058749E-007 -4.760203445973021E-007 5.731128083529575E-003 -1.39504487918746 -1.39545244974967 -2.20296995985190 -2.20294233315194 -2.14297236975437 -2.14314502221462 5.000277290268092E-007 5.000277290227467E-007 5.731128083480740E-003 -1.39504487918443 -1.39545244974711 -2.20296995984991 -2.20294233314890 -2.14297236974164 -2.14314502218218 5.000280807715499E-007 5.000280807860304E-007 5.731128083195055E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.956612560569038E-009 9.956612560569038E-009 -5.602305114406907E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.957452409393511E-009 9.957452409393511E-009 -5.602305114115197E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.360114549930521E-009 6.360114549930521E-009 -5.602305114115816E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.359274410626947E-009 6.359274410626947E-009 -5.602305114407631E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -4.990167355612825E-007 -4.990167355612825E-007 -5.598631102783578E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -4.990179173802604E-007 -4.990179173802604E-007 -5.598631102937777E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.153337679573835E-007 5.153337679573835E-007 -5.598631103810673E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.153349504354191E-007 5.153349504354191E-007 -5.598631103657127E-004 =====>>> CPU TIME SUMMARY TOTAL : 629.5 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 35) Finished k-point number 36 with #bands= 454 39) Finished k-point number 40 with #bands= 456 1) Finished k-point number 2 with #bands= 456 2) Finished k-point number 3 with #bands= 458 38) Finished k-point number 39 with #bands= 454 33) Finished k-point number 34 with #bands= 456 0) Finished k-point number 1 with #bands= 458 31) Finished k-point number 32 with #bands= 452 36) Finished k-point number 37 with #bands= 454 30) Finished k-point number 31 with #bands= 452 34) Finished k-point number 35 with #bands= 456 16) Finished k-point number 17 with #bands= 458 5) Finished k-point number 6 with #bands= 454 37) Finished k-point number 38 with #bands= 454 29) Finished k-point number 30 with #bands= 452 3) Finished k-point number 4 with #bands= 456 26) Finished k-point number 27 with #bands= 454 22) Finished k-point number 23 with #bands= 458 23) Finished k-point number 24 with #bands= 458 4) Finished k-point number 5 with #bands= 454 21) Finished k-point number 22 with #bands= 456 15) Finished k-point number 16 with #bands= 458 27) Finished k-point number 28 with #bands= 452 47) Finished k-point number 48 with #bands= 460 42) Finished k-point number 43 with #bands= 452 41) Finished k-point number 42 with #bands= 460 48) Finished k-point number 49 with #bands= 464 12) Finished k-point number 13 with #bands= 454 32) Finished k-point number 33 with #bands= 452 20) Finished k-point number 21 with #bands= 452 17) Finished k-point number 18 with #bands= 458 6) Finished k-point number 7 with #bands= 452 18) Finished k-point number 19 with #bands= 452 44) Finished k-point number 45 with #bands= 452 45) Finished k-point number 46 with #bands= 452 25) Finished k-point number 26 with #bands= 452 7) Finished k-point number 8 with #bands= 456 24) Finished k-point number 25 with #bands= 454 19) Finished k-point number 20 with #bands= 454 43) Finished k-point number 44 with #bands= 452 14) Finished k-point number 15 with #bands= 458 8) Finished k-point number 9 with #bands= 456 28) Finished k-point number 29 with #bands= 454 10) Finished k-point number 11 with #bands= 458 46) Finished k-point number 47 with #bands= 456 11) Finished k-point number 12 with #bands= 452 9) Finished k-point number 10 with #bands= 458 13) Finished k-point number 14 with #bands= 452 40) Finished k-point number 41 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745154212411501 0.745154212411501 0.760970274321123 0.760970274321123 0.760541063905752 0.760541063905752 5.987591291884902E-009 5.987591291884902E-009 -4.220464805533460E-004 0.745154212411718 0.745154212411488 0.760970274321123 0.760970274321123 0.760541063905752 0.760541063905752 5.987828390370414E-009 5.987828390370414E-009 -4.220464805387453E-004 0.745154212411715 0.745154212411488 0.760970274321123 0.760970274321123 0.760541063905752 0.760541063905752 6.170513725813030E-009 6.170513725813030E-009 -4.220464805383886E-004 0.745154212411501 0.745154212411501 0.760970274321123 0.760970274321123 0.760541063905752 0.760541063905752 6.170274963525393E-009 6.170274963525393E-009 -4.220464805531523E-004 0.745154460778779 0.745154460778556 0.760969701378121 0.760969701378121 0.760540880388873 0.760540880388873 -3.859023803999138E-007 -3.859023803999138E-007 -4.229090510314451E-004 0.745154460778567 0.745154460778567 0.760969701378121 0.760969701378121 0.760540880388873 0.760540880388874 -3.859026222939031E-007 -3.859026222939031E-007 -4.229090510391266E-004 0.745154460778567 0.745154460778567 0.760969701378098 0.760969701378098 0.760540880388901 0.760540880388901 3.980603852837350E-007 3.980603852837350E-007 -4.229090511077828E-004 0.745154460778787 0.745154460778555 0.760969701378098 0.760969701378098 0.760540880388901 0.760540880388901 3.980606226178584E-007 3.980606226178584E-007 -4.229090511003324E-004 3) Finished k-point number 4 with #bands= 456 33) Finished k-point number 34 with #bands= 456 39) Finished k-point number 40 with #bands= 456 2) Finished k-point number 3 with #bands= 458 5) Finished k-point number 6 with #bands= 454 1) Finished k-point number 2 with #bands= 456 38) Finished k-point number 39 with #bands= 454 0) Finished k-point number 1 with #bands= 458 4) Finished k-point number 5 with #bands= 454 29) Finished k-point number 30 with #bands= 452 36) Finished k-point number 37 with #bands= 454 30) Finished k-point number 31 with #bands= 452 32) Finished k-point number 33 with #bands= 452 31) Finished k-point number 32 with #bands= 452 37) Finished k-point number 38 with #bands= 454 26) Finished k-point number 27 with #bands= 454 34) Finished k-point number 35 with #bands= 456 48) Finished k-point number 49 with #bands= 464 35) Finished k-point number 36 with #bands= 454 46) Finished k-point number 47 with #bands= 456 40) Finished k-point number 41 with #bands= 460 28) Finished k-point number 29 with #bands= 454 45) Finished k-point number 46 with #bands= 452 23) Finished k-point number 24 with #bands= 458 25) Finished k-point number 26 with #bands= 452 13) Finished k-point number 14 with #bands= 452 22) Finished k-point number 23 with #bands= 458 27) Finished k-point number 28 with #bands= 452 47) Finished k-point number 48 with #bands= 460 19) Finished k-point number 20 with #bands= 454 18) Finished k-point number 19 with #bands= 452 24) Finished k-point number 25 with #bands= 454 44) Finished k-point number 45 with #bands= 452 21) Finished k-point number 22 with #bands= 456 17) Finished k-point number 18 with #bands= 458 20) Finished k-point number 21 with #bands= 452 10) Finished k-point number 11 with #bands= 458 42) Finished k-point number 43 with #bands= 452 6) Finished k-point number 7 with #bands= 452 43) Finished k-point number 44 with #bands= 452 16) Finished k-point number 17 with #bands= 458 12) Finished k-point number 13 with #bands= 454 14) Finished k-point number 15 with #bands= 458 9) Finished k-point number 10 with #bands= 458 15) Finished k-point number 16 with #bands= 458 8) Finished k-point number 9 with #bands= 456 41) Finished k-point number 42 with #bands= 460 7) Finished k-point number 8 with #bands= 456 11) Finished k-point number 12 with #bands= 452 Eimp= -1.39485753335779 -1.39526554956153 -2.20271614449306 -2.20268852037687 -2.14282033584895 -2.14299276906017 1.413732612380669E-008 1.413732613251055E-008 5.773279324913847E-003 -1.39485753335709 -1.39526554955905 -2.20271614449108 -2.20268852037382 -2.14282033582009 -2.14299276902040 1.413762213621579E-008 1.413762214784438E-008 5.773279324644488E-003 -1.39485753335708 -1.39526554955905 -2.20271614449108 -2.20268852037382 -2.14282033582008 -2.14299276902044 9.865940867154471E-009 9.865940871809678E-009 5.773279324644671E-003 -1.39485753335779 -1.39526554956152 -2.20271614449306 -2.20268852037687 -2.14282033584894 -2.14299276906017 9.865644789148689E-009 9.865644799692214E-009 5.773279324913733E-003 -1.39485618946290 -1.39526417502885 -2.20271938938010 -2.20269172084485 -2.14282511760723 -2.14299746158192 -5.262311569790480E-007 -5.262311569942041E-007 5.773408078066750E-003 -1.39485618946359 -1.39526417503138 -2.20271938938208 -2.20269172084789 -2.14282511761435 -2.14299746161420 -5.262314761932722E-007 -5.262314762009583E-007 5.773408078332861E-003 -1.39485618946359 -1.39526417503138 -2.20271938938196 -2.20269172084777 -2.14282511761450 -2.14299746161434 5.502356038627183E-007 5.502356038665006E-007 5.773408078279208E-003 -1.39485618946291 -1.39526417502885 -2.20271938937998 -2.20269172084474 -2.14282511760737 -2.14299746158208 5.502359230681557E-007 5.502359230663265E-007 5.773408078013314E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.035371996698062E-009 8.035371996698062E-009 -5.604712713614490E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.035690181753687E-009 8.035690181753687E-009 -5.604712713420607E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.280854645218983E-009 8.280854645218983E-009 -5.604712713415875E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.280534231582674E-009 8.280534231582674E-009 -5.604712713611903E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.178823998366373E-007 -5.178823998366373E-007 -5.616168695918728E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.178827244681267E-007 -5.178827244681267E-007 -5.616168696020708E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.341984866647886E-007 5.341984866647886E-007 -5.616168696932578E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.341988051758700E-007 5.341988051758700E-007 -5.616168696833654E-004 =====>>> CPU TIME SUMMARY TOTAL : 636.3 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 37) Finished k-point number 38 with #bands= 454 46) Finished k-point number 47 with #bands= 456 39) Finished k-point number 40 with #bands= 456 23) Finished k-point number 24 with #bands= 458 0) Finished k-point number 1 with #bands= 458 3) Finished k-point number 4 with #bands= 456 5) Finished k-point number 6 with #bands= 454 1) Finished k-point number 2 with #bands= 456 7) Finished k-point number 8 with #bands= 456 25) Finished k-point number 26 with #bands= 452 22) Finished k-point number 23 with #bands= 458 4) Finished k-point number 5 with #bands= 454 13) Finished k-point number 14 with #bands= 452 8) Finished k-point number 9 with #bands= 456 2) Finished k-point number 3 with #bands= 458 38) Finished k-point number 39 with #bands= 454 27) Finished k-point number 28 with #bands= 452 24) Finished k-point number 25 with #bands= 454 47) Finished k-point number 48 with #bands= 460 35) Finished k-point number 36 with #bands= 454 33) Finished k-point number 34 with #bands= 456 34) Finished k-point number 35 with #bands= 456 48) Finished k-point number 49 with #bands= 464 30) Finished k-point number 31 with #bands= 452 6) Finished k-point number 7 with #bands= 452 42) Finished k-point number 43 with #bands= 452 12) Finished k-point number 13 with #bands= 454 11) Finished k-point number 12 with #bands= 452 10) Finished k-point number 11 with #bands= 458 16) Finished k-point number 17 with #bands= 458 26) Finished k-point number 27 with #bands= 454 28) Finished k-point number 29 with #bands= 454 36) Finished k-point number 37 with #bands= 454 41) Finished k-point number 42 with #bands= 460 29) Finished k-point number 30 with #bands= 452 19) Finished k-point number 20 with #bands= 454 32) Finished k-point number 33 with #bands= 452 20) Finished k-point number 21 with #bands= 452 15) Finished k-point number 16 with #bands= 458 31) Finished k-point number 32 with #bands= 452 21) Finished k-point number 22 with #bands= 456 44) Finished k-point number 45 with #bands= 452 9) Finished k-point number 10 with #bands= 458 40) Finished k-point number 41 with #bands= 460 14) Finished k-point number 15 with #bands= 458 45) Finished k-point number 46 with #bands= 452 17) Finished k-point number 18 with #bands= 458 18) Finished k-point number 19 with #bands= 452 43) Finished k-point number 44 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745148688435761 0.745148688435761 0.760966868686176 0.760966868686177 0.760537015351814 0.760537015351814 8.580385968763698E-009 8.580385968763698E-009 -4.249956548514951E-004 0.745148688435605 0.745148688435729 0.760966868686177 0.760966868686177 0.760537015351814 0.760537015351814 8.580781325795125E-009 8.580781325795125E-009 -4.249956548362043E-004 0.745148688435604 0.745148688435729 0.760966868686177 0.760966868686177 0.760537015351814 0.760537015351814 3.577442180982068E-009 3.577442180982068E-009 -4.249956548360956E-004 0.745148688435761 0.745148688435761 0.760966868686177 0.760966868686177 0.760537015351814 0.760537015351814 3.577046248574812E-009 3.577046248574812E-009 -4.249956548512997E-004 0.745149110333115 0.745149110332687 0.760966042737378 0.760966042737378 0.760536843571276 0.760536843571276 -4.913975505850913E-007 -4.913975505850913E-007 -4.256769749239828E-004 0.745149110332704 0.745149110332704 0.760966042737378 0.760966042737378 0.760536843571276 0.760536843571276 -4.913976852544840E-007 -4.913976852544840E-007 -4.256769749295330E-004 0.745149110332703 0.745149110332703 0.760966042737350 0.760966042737350 0.760536843571311 0.760536843571311 5.035550960401245E-007 5.035550960401245E-007 -4.256769750129842E-004 0.745149110333122 0.745149110332686 0.760966042737350 0.760966042737350 0.760536843571311 0.760536843571311 5.035552259309243E-007 5.035552259309243E-007 -4.256769750070867E-004 5) Finished k-point number 6 with #bands= 454 0) Finished k-point number 1 with #bands= 458 39) Finished k-point number 40 with #bands= 456 4) Finished k-point number 5 with #bands= 454 3) Finished k-point number 4 with #bands= 456 32) Finished k-point number 33 with #bands= 452 1) Finished k-point number 2 with #bands= 456 38) Finished k-point number 39 with #bands= 454 2) Finished k-point number 3 with #bands= 458 37) Finished k-point number 38 with #bands= 454 34) Finished k-point number 35 with #bands= 456 48) Finished k-point number 49 with #bands= 464 30) Finished k-point number 31 with #bands= 452 35) Finished k-point number 36 with #bands= 454 31) Finished k-point number 32 with #bands= 452 33) Finished k-point number 34 with #bands= 456 36) Finished k-point number 37 with #bands= 454 47) Finished k-point number 48 with #bands= 460 15) Finished k-point number 16 with #bands= 458 28) Finished k-point number 29 with #bands= 454 46) Finished k-point number 47 with #bands= 456 42) Finished k-point number 43 with #bands= 452 29) Finished k-point number 30 with #bands= 452 24) Finished k-point number 25 with #bands= 454 27) Finished k-point number 28 with #bands= 452 22) Finished k-point number 23 with #bands= 458 16) Finished k-point number 17 with #bands= 458 26) Finished k-point number 27 with #bands= 454 12) Finished k-point number 13 with #bands= 454 25) Finished k-point number 26 with #bands= 452 17) Finished k-point number 18 with #bands= 458 23) Finished k-point number 24 with #bands= 458 9) Finished k-point number 10 with #bands= 458 8) Finished k-point number 9 with #bands= 456 20) Finished k-point number 21 with #bands= 452 11) Finished k-point number 12 with #bands= 452 44) Finished k-point number 45 with #bands= 452 18) Finished k-point number 19 with #bands= 452 7) Finished k-point number 8 with #bands= 456 45) Finished k-point number 46 with #bands= 452 21) Finished k-point number 22 with #bands= 456 43) Finished k-point number 44 with #bands= 452 6) Finished k-point number 7 with #bands= 452 41) Finished k-point number 42 with #bands= 460 19) Finished k-point number 20 with #bands= 454 40) Finished k-point number 41 with #bands= 460 14) Finished k-point number 15 with #bands= 458 13) Finished k-point number 14 with #bands= 452 10) Finished k-point number 11 with #bands= 458 Eimp= -1.39449048986637 -1.39489849998063 -2.20229567765118 -2.20226812715889 -2.14251726027923 -2.14268983410855 5.206195896761350E-009 5.206195895900843E-009 5.833546669760554E-003 -1.39449048986497 -1.39489849997812 -2.20229567764919 -2.20226812715584 -2.14251726024164 -2.14268983407335 5.206488317422476E-009 5.206488313333962E-009 5.833546669478527E-003 -1.39449048986497 -1.39489849997812 -2.20229567764919 -2.20226812715584 -2.14251726024166 -2.14268983407335 1.879101647754543E-008 1.879101647117987E-008 5.833546669477543E-003 -1.39449048986637 -1.39489849998063 -2.20229567765118 -2.20226812715889 -2.14251726027923 -2.14268983410855 1.879072385877723E-008 1.879072386905218E-008 5.833546669759963E-003 -1.39448738324003 -1.39489539117951 -2.20229819625360 -2.20227059856874 -2.14251934519004 -2.14269202754287 -5.698805519328690E-007 -5.698805519350881E-007 5.834328349844898E-003 -1.39448738324037 -1.39489539118203 -2.20229819625558 -2.20227059857179 -2.14251934520195 -2.14269202757339 -5.698808643716058E-007 -5.698808643646977E-007 5.834328350155078E-003 -1.39448738324036 -1.39489539118202 -2.20229819625543 -2.20227059857164 -2.14251934520213 -2.14269202757356 5.938787457209465E-007 5.938787457330834E-007 5.834328350094035E-003 -1.39448738324004 -1.39489539117950 -2.20229819625345 -2.20227059856859 -2.14251934519018 -2.14269202754308 5.938790581726596E-007 5.938790581713415E-007 5.834328349784760E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.151499841979659E-008 1.151499841979659E-008 -5.643910846302190E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.151552899609541E-008 1.151552899609541E-008 -5.643910846099223E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 4.800977627313341E-009 4.800977627313341E-009 -5.643910846097816E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 4.800446271673752E-009 4.800446271673752E-009 -5.643910846299582E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -6.594620375532321E-007 -6.594620375532321E-007 -5.652960193963353E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -6.594622182795674E-007 -6.594622182795674E-007 -5.652960194036986E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.757776249902009E-007 6.757776249902009E-007 -5.652960195145320E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.757777992926914E-007 6.757777992926914E-007 -5.652960195067044E-004 =====>>> CPU TIME SUMMARY TOTAL : 622.9 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 33) Finished k-point number 34 with #bands= 456 39) Finished k-point number 40 with #bands= 456 1) Finished k-point number 2 with #bands= 456 3) Finished k-point number 4 with #bands= 456 22) Finished k-point number 23 with #bands= 458 4) Finished k-point number 5 with #bands= 454 19) Finished k-point number 20 with #bands= 454 31) Finished k-point number 32 with #bands= 452 30) Finished k-point number 31 with #bands= 452 12) Finished k-point number 13 with #bands= 454 34) Finished k-point number 35 with #bands= 456 37) Finished k-point number 38 with #bands= 454 36) Finished k-point number 37 with #bands= 454 29) Finished k-point number 30 with #bands= 452 45) Finished k-point number 46 with #bands= 452 27) Finished k-point number 28 with #bands= 452 47) Finished k-point number 48 with #bands= 460 18) Finished k-point number 19 with #bands= 452 21) Finished k-point number 22 with #bands= 456 15) Finished k-point number 16 with #bands= 458 26) Finished k-point number 27 with #bands= 454 48) Finished k-point number 49 with #bands= 464 38) Finished k-point number 39 with #bands= 454 5) Finished k-point number 6 with #bands= 454 10) Finished k-point number 11 with #bands= 458 2) Finished k-point number 3 with #bands= 458 13) Finished k-point number 14 with #bands= 452 23) Finished k-point number 24 with #bands= 458 6) Finished k-point number 7 with #bands= 452 0) Finished k-point number 1 with #bands= 458 32) Finished k-point number 33 with #bands= 452 35) Finished k-point number 36 with #bands= 454 28) Finished k-point number 29 with #bands= 454 25) Finished k-point number 26 with #bands= 452 14) Finished k-point number 15 with #bands= 458 17) Finished k-point number 18 with #bands= 458 9) Finished k-point number 10 with #bands= 458 44) Finished k-point number 45 with #bands= 452 24) Finished k-point number 25 with #bands= 454 7) Finished k-point number 8 with #bands= 456 46) Finished k-point number 47 with #bands= 456 11) Finished k-point number 12 with #bands= 452 8) Finished k-point number 9 with #bands= 456 20) Finished k-point number 21 with #bands= 452 16) Finished k-point number 17 with #bands= 458 43) Finished k-point number 44 with #bands= 452 40) Finished k-point number 41 with #bands= 460 42) Finished k-point number 43 with #bands= 452 41) Finished k-point number 42 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745148423670259 0.745148423670259 0.760967451338696 0.760967451338696 0.760534830462454 0.760534830462454 2.031095708849856E-009 2.031095708849856E-009 -4.212623802657199E-004 0.745148423671287 0.745148423670293 0.760967451338696 0.760967451338696 0.760534830462454 0.760534830462454 2.030997687915686E-009 2.030997687915686E-009 -4.212623802565940E-004 0.745148423671282 0.745148423670293 0.760967451338696 0.760967451338696 0.760534830462454 0.760534830462454 1.012667897455384E-008 1.012667897455384E-008 -4.212623802567097E-004 0.745148423670259 0.745148423670259 0.760967451338696 0.760967451338696 0.760534830462454 0.760534830462454 1.012677395171609E-008 1.012677395171609E-008 -4.212623802658978E-004 0.745148217765751 0.745148217765444 0.760968661077837 0.760968661077837 0.760535269614325 0.760535269614325 4.911010935311777E-007 4.911010935311777E-007 -4.218656460682928E-004 0.745148217765411 0.745148217765411 0.760968661077837 0.760968661077837 0.760535269614325 0.760535269614325 4.911008482390295E-007 4.911008482390295E-007 -4.218656460731837E-004 0.745148217765410 0.745148217765410 0.760968661077865 0.760968661077865 0.760535269614291 0.760535269614291 -4.789430852956419E-007 -4.789430852956419E-007 -4.218656459885723E-004 0.745148217765746 0.745148217765444 0.760968661077865 0.760968661077865 0.760535269614291 0.760535269614291 -4.789428379922716E-007 -4.789428379922716E-007 -4.218656459838338E-004 0) Finished k-point number 1 with #bands= 458 2) Finished k-point number 3 with #bands= 458 29) Finished k-point number 30 with #bands= 452 48) Finished k-point number 49 with #bands= 464 3) Finished k-point number 4 with #bands= 456 4) Finished k-point number 5 with #bands= 454 21) Finished k-point number 22 with #bands= 456 1) Finished k-point number 2 with #bands= 456 39) Finished k-point number 40 with #bands= 456 30) Finished k-point number 31 with #bands= 452 5) Finished k-point number 6 with #bands= 454 32) Finished k-point number 33 with #bands= 452 36) Finished k-point number 37 with #bands= 454 34) Finished k-point number 35 with #bands= 456 31) Finished k-point number 32 with #bands= 452 18) Finished k-point number 19 with #bands= 452 38) Finished k-point number 39 with #bands= 454 33) Finished k-point number 34 with #bands= 456 35) Finished k-point number 36 with #bands= 454 37) Finished k-point number 38 with #bands= 454 19) Finished k-point number 20 with #bands= 454 41) Finished k-point number 42 with #bands= 460 9) Finished k-point number 10 with #bands= 458 43) Finished k-point number 44 with #bands= 452 44) Finished k-point number 45 with #bands= 452 16) Finished k-point number 17 with #bands= 458 22) Finished k-point number 23 with #bands= 458 12) Finished k-point number 13 with #bands= 454 23) Finished k-point number 24 with #bands= 458 13) Finished k-point number 14 with #bands= 452 20) Finished k-point number 21 with #bands= 452 14) Finished k-point number 15 with #bands= 458 10) Finished k-point number 11 with #bands= 458 40) Finished k-point number 41 with #bands= 460 11) Finished k-point number 12 with #bands= 452 15) Finished k-point number 16 with #bands= 458 8) Finished k-point number 9 with #bands= 456 6) Finished k-point number 7 with #bands= 452 17) Finished k-point number 18 with #bands= 458 24) Finished k-point number 25 with #bands= 454 47) Finished k-point number 48 with #bands= 460 7) Finished k-point number 8 with #bands= 456 45) Finished k-point number 46 with #bands= 452 25) Finished k-point number 26 with #bands= 452 42) Finished k-point number 43 with #bands= 452 46) Finished k-point number 47 with #bands= 456 27) Finished k-point number 28 with #bands= 452 26) Finished k-point number 27 with #bands= 454 28) Finished k-point number 29 with #bands= 454 Eimp= -1.39453322314525 -1.39494177186753 -2.20265889732462 -2.20263109159827 -2.14226899816278 -2.14244191927497 4.347081817236184E-008 4.347081815816345E-008 5.562140648808375E-003 -1.39453322314607 -1.39494177186515 -2.20265889732268 -2.20263109159523 -2.14226899815020 -2.14244191923766 4.347111734454937E-008 4.347111734052751E-008 5.562140648456078E-003 -1.39453322314606 -1.39494177186515 -2.20265889732268 -2.20263109159523 -2.14226899815021 -2.14244191923766 -1.947070858282843E-008 -1.947070858058902E-008 5.562140648457523E-003 -1.39453322314525 -1.39494177186753 -2.20265889732463 -2.20263109159827 -2.14226899816278 -2.14244191927497 -1.947100778573962E-008 -1.947100778844469E-008 5.562140648808943E-003 -1.39453185196675 -1.39494041739324 -2.20264731558168 -2.20261949158217 -2.14227399962131 -2.14244684813654 6.660945524966033E-007 6.660945525002677E-007 5.570495807921803E-003 -1.39453185196722 -1.39494041739570 -2.20264731558364 -2.20261949158523 -2.14227399964105 -2.14244684816074 6.660942248761414E-007 6.660942248818592E-007 5.570495808270232E-003 -1.39453185196722 -1.39494041739570 -2.20264731558379 -2.20261949158538 -2.14227399964088 -2.14244684816057 -6.420931662138380E-007 -6.420931662211429E-007 5.570495808335070E-003 -1.39453185196674 -1.39494041739324 -2.20264731558183 -2.20261949158232 -2.14227399962115 -2.14244684813637 -6.420928385730026E-007 -6.420928385661890E-007 5.570495807986515E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.725759924245442E-009 2.725759924245442E-009 -5.594332088239340E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.725628381083141E-009 2.725628381083141E-009 -5.594332088118001E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.359015016521567E-008 1.359015016521567E-008 -5.594332088119514E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.359027763158291E-008 1.359027763158291E-008 -5.594332088241610E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.590649777106614E-007 6.590649777106614E-007 -5.602339732726249E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.590646485223134E-007 6.590646485223134E-007 -5.602339732791360E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -6.427487496773317E-007 -6.427487496773317E-007 -5.602339731667587E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -6.427484177893231E-007 -6.427484177893231E-007 -5.602339731604562E-004 =====>>> CPU TIME SUMMARY TOTAL : 600.7 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 33) Finished k-point number 34 with #bands= 456 38) Finished k-point number 39 with #bands= 454 5) Finished k-point number 6 with #bands= 454 22) Finished k-point number 23 with #bands= 458 21) Finished k-point number 22 with #bands= 456 12) Finished k-point number 13 with #bands= 454 17) Finished k-point number 18 with #bands= 458 18) Finished k-point number 19 with #bands= 452 20) Finished k-point number 21 with #bands= 452 30) Finished k-point number 31 with #bands= 452 3) Finished k-point number 4 with #bands= 456 39) Finished k-point number 40 with #bands= 456 34) Finished k-point number 35 with #bands= 456 11) Finished k-point number 12 with #bands= 452 45) Finished k-point number 46 with #bands= 452 19) Finished k-point number 20 with #bands= 454 7) Finished k-point number 8 with #bands= 456 8) Finished k-point number 9 with #bands= 456 14) Finished k-point number 15 with #bands= 458 15) Finished k-point number 16 with #bands= 458 37) Finished k-point number 38 with #bands= 454 31) Finished k-point number 32 with #bands= 452 48) Finished k-point number 49 with #bands= 464 13) Finished k-point number 14 with #bands= 452 35) Finished k-point number 36 with #bands= 454 0) Finished k-point number 1 with #bands= 458 16) Finished k-point number 17 with #bands= 458 29) Finished k-point number 30 with #bands= 452 28) Finished k-point number 29 with #bands= 454 25) Finished k-point number 26 with #bands= 452 4) Finished k-point number 5 with #bands= 454 42) Finished k-point number 43 with #bands= 452 24) Finished k-point number 25 with #bands= 454 23) Finished k-point number 24 with #bands= 458 36) Finished k-point number 37 with #bands= 454 43) Finished k-point number 44 with #bands= 452 44) Finished k-point number 45 with #bands= 452 32) Finished k-point number 33 with #bands= 452 41) Finished k-point number 42 with #bands= 460 6) Finished k-point number 7 with #bands= 452 10) Finished k-point number 11 with #bands= 458 1) Finished k-point number 2 with #bands= 456 2) Finished k-point number 3 with #bands= 458 47) Finished k-point number 48 with #bands= 460 26) Finished k-point number 27 with #bands= 454 46) Finished k-point number 47 with #bands= 456 9) Finished k-point number 10 with #bands= 458 40) Finished k-point number 41 with #bands= 460 27) Finished k-point number 28 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745175627101745 0.745175627101745 0.760993032965601 0.760993032965601 0.760562320649661 0.760562320649661 6.361088783578810E-009 6.361088783578810E-009 -4.220838056018887E-004 0.745175627101192 0.745175627101724 0.760993032965601 0.760993032965601 0.760562320649661 0.760562320649661 6.361699646958384E-009 6.361699646958384E-009 -4.220838055822621E-004 0.745175627101199 0.745175627101724 0.760993032965601 0.760993032965601 0.760562320649662 0.760562320649661 5.797687676670070E-009 5.797687676670070E-009 -4.220838055825341E-004 0.745175627101745 0.745175627101745 0.760993032965601 0.760993032965601 0.760562320649661 0.760562320649662 5.797080380700661E-009 5.797080380700661E-009 -4.220838056020744E-004 0.745176475116696 0.745176475116189 0.760990863895213 0.760990863895213 0.760561757988329 0.760561757988329 -7.043210684510871E-007 -7.043210684510871E-007 -4.206704473265343E-004 0.745176475116172 0.745176475116172 0.760990863895213 0.760990863895213 0.760561757988329 0.760561757988329 -7.043211970331080E-007 -7.043211970331080E-007 -4.206704473340892E-004 0.745176475116173 0.745176475116173 0.760990863895172 0.760990863895172 0.760561757988378 0.760561757988378 7.164796402681695E-007 7.164796402681695E-007 -4.206704474576882E-004 0.745176475116699 0.745176475116190 0.760990863895172 0.760990863895172 0.760561757988378 0.760561757988378 7.164797678384013E-007 7.164797678384013E-007 -4.206704474502191E-004 33) Finished k-point number 34 with #bands= 456 34) Finished k-point number 35 with #bands= 456 38) Finished k-point number 39 with #bands= 454 36) Finished k-point number 37 with #bands= 454 39) Finished k-point number 40 with #bands= 456 46) Finished k-point number 47 with #bands= 456 31) Finished k-point number 32 with #bands= 452 29) Finished k-point number 30 with #bands= 452 5) Finished k-point number 6 with #bands= 454 44) Finished k-point number 45 with #bands= 452 37) Finished k-point number 38 with #bands= 454 0) Finished k-point number 1 with #bands= 458 4) Finished k-point number 5 with #bands= 454 32) Finished k-point number 33 with #bands= 452 14) Finished k-point number 15 with #bands= 458 1) Finished k-point number 2 with #bands= 456 35) Finished k-point number 36 with #bands= 454 21) Finished k-point number 22 with #bands= 456 11) Finished k-point number 12 with #bands= 452 3) Finished k-point number 4 with #bands= 456 2) Finished k-point number 3 with #bands= 458 30) Finished k-point number 31 with #bands= 452 45) Finished k-point number 46 with #bands= 452 18) Finished k-point number 19 with #bands= 452 19) Finished k-point number 20 with #bands= 454 43) Finished k-point number 44 with #bands= 452 8) Finished k-point number 9 with #bands= 456 12) Finished k-point number 13 with #bands= 454 26) Finished k-point number 27 with #bands= 454 6) Finished k-point number 7 with #bands= 452 20) Finished k-point number 21 with #bands= 452 41) Finished k-point number 42 with #bands= 460 22) Finished k-point number 23 with #bands= 458 7) Finished k-point number 8 with #bands= 456 10) Finished k-point number 11 with #bands= 458 48) Finished k-point number 49 with #bands= 464 23) Finished k-point number 24 with #bands= 458 24) Finished k-point number 25 with #bands= 454 28) Finished k-point number 29 with #bands= 454 16) Finished k-point number 17 with #bands= 458 13) Finished k-point number 14 with #bands= 452 27) Finished k-point number 28 with #bands= 452 15) Finished k-point number 16 with #bands= 458 42) Finished k-point number 43 with #bands= 452 47) Finished k-point number 48 with #bands= 460 17) Finished k-point number 18 with #bands= 458 25) Finished k-point number 26 with #bands= 452 9) Finished k-point number 10 with #bands= 458 40) Finished k-point number 41 with #bands= 460 Eimp= -1.39660595818865 -1.39701378767074 -2.20460696449840 -2.20457915335393 -2.14451663422496 -2.14468915280209 1.768943769875351E-008 1.768943770462127E-008 5.686701730503375E-003 -1.39660595818651 -1.39701378766825 -2.20460696449645 -2.20457915335089 -2.14451663419015 -2.14468915275880 1.768973905081301E-008 1.768973904854150E-008 5.686701730172636E-003 -1.39660595818653 -1.39701378766825 -2.20460696449645 -2.20457915335089 -2.14451663419016 -2.14468915275880 6.342612280203475E-009 6.342612285864673E-009 5.686701730173247E-003 -1.39660595818865 -1.39701378767074 -2.20460696449840 -2.20457915335393 -2.14451663422497 -2.14468915280209 6.342310911227590E-009 6.342310922567661E-009 5.686701730504205E-003 -1.39661197835014 -1.39701979029344 -2.20461807315638 -2.20459024126831 -2.14452832019065 -2.14470091446445 -9.491609951585185E-007 -9.491609951557858E-007 5.687800822127974E-003 -1.39661197835027 -1.39701979029585 -2.20461807315832 -2.20459024127134 -2.14452832020294 -2.14470091450086 -9.491612970444502E-007 -9.491612970641033E-007 5.687800822466996E-003 -1.39661197835027 -1.39701979029585 -2.20461807315810 -2.20459024127113 -2.14452832020319 -2.14470091450111 9.731943395691737E-007 9.731943395758653E-007 5.687800822371864E-003 -1.39661197835014 -1.39701979029344 -2.20461807315617 -2.20459024126810 -2.14452832019090 -2.14470091446470 9.731946415048189E-007 9.731946414888744E-007 5.687800822032751E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.536361832271230E-009 8.536361832271230E-009 -5.605044027832579E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.537181589194931E-009 8.537181589194931E-009 -5.605044027571978E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.780296970304178E-009 7.780296970304178E-009 -5.605044027575620E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.779482003193992E-009 7.779482003193992E-009 -5.605044027834986E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -9.451735152274946E-007 -9.451735152274946E-007 -5.586280179180180E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -9.451736877805918E-007 -9.451736877805918E-007 -5.586280179280616E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.614898808420473E-007 9.614898808420473E-007 -5.586280180922046E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.614900520417133E-007 9.614900520417133E-007 -5.586280180822840E-004 =====>>> CPU TIME SUMMARY TOTAL : 602.2 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 34) Finished k-point number 35 with #bands= 456 29) Finished k-point number 30 with #bands= 452 23) Finished k-point number 24 with #bands= 458 25) Finished k-point number 26 with #bands= 452 5) Finished k-point number 6 with #bands= 454 3) Finished k-point number 4 with #bands= 456 1) Finished k-point number 2 with #bands= 456 2) Finished k-point number 3 with #bands= 458 39) Finished k-point number 40 with #bands= 456 10) Finished k-point number 11 with #bands= 458 4) Finished k-point number 5 with #bands= 454 16) Finished k-point number 17 with #bands= 458 0) Finished k-point number 1 with #bands= 458 44) Finished k-point number 45 with #bands= 452 8) Finished k-point number 9 with #bands= 456 28) Finished k-point number 29 with #bands= 454 27) Finished k-point number 28 with #bands= 452 24) Finished k-point number 25 with #bands= 454 46) Finished k-point number 47 with #bands= 456 31) Finished k-point number 32 with #bands= 452 36) Finished k-point number 37 with #bands= 454 48) Finished k-point number 49 with #bands= 464 6) Finished k-point number 7 with #bands= 452 38) Finished k-point number 39 with #bands= 454 11) Finished k-point number 12 with #bands= 452 7) Finished k-point number 8 with #bands= 456 42) Finished k-point number 43 with #bands= 452 40) Finished k-point number 41 with #bands= 460 19) Finished k-point number 20 with #bands= 454 26) Finished k-point number 27 with #bands= 454 18) Finished k-point number 19 with #bands= 452 12) Finished k-point number 13 with #bands= 454 32) Finished k-point number 33 with #bands= 452 13) Finished k-point number 14 with #bands= 452 22) Finished k-point number 23 with #bands= 458 33) Finished k-point number 34 with #bands= 456 21) Finished k-point number 22 with #bands= 456 47) Finished k-point number 48 with #bands= 460 30) Finished k-point number 31 with #bands= 452 17) Finished k-point number 18 with #bands= 458 45) Finished k-point number 46 with #bands= 452 35) Finished k-point number 36 with #bands= 454 37) Finished k-point number 38 with #bands= 454 9) Finished k-point number 10 with #bands= 458 41) Finished k-point number 42 with #bands= 460 14) Finished k-point number 15 with #bands= 458 20) Finished k-point number 21 with #bands= 452 43) Finished k-point number 44 with #bands= 452 15) Finished k-point number 16 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745156886420102 0.745156886420102 0.760978164877587 0.760978164877588 0.760546548799147 0.760546548799147 -6.865279375757785E-009 -6.865279375757785E-009 -4.248743252961987E-004 0.745156886422094 0.745156886420103 0.760978164877588 0.760978164877587 0.760546548799147 0.760546548799147 -6.865908252962967E-009 -6.865908252962967E-009 -4.248743252737507E-004 0.745156886422094 0.745156886420103 0.760978164877587 0.760978164877587 0.760546548799147 0.760546548799147 1.902247949481942E-008 1.902247949481942E-008 -4.248743252742662E-004 0.745156886420102 0.745156886420102 0.760978164877587 0.760978164877587 0.760546548799147 0.760546548799147 1.902310877534912E-008 1.902310877534912E-008 -4.248743252963740E-004 0.745153811787827 0.745153811786107 0.760978119360506 0.760978119360506 0.760545174280470 0.760545174280470 -1.286151343873914E-006 -1.286151343873914E-006 -4.251576078946477E-004 0.745153811786099 0.745153811786099 0.760978119360506 0.760978119360506 0.760545174280470 0.760545174280470 -1.286150857006550E-006 -1.286150857006550E-006 -4.251576079088800E-004 0.745153811786101 0.745153811786101 0.760978119360433 0.760978119360433 0.760545174280558 0.760545174280559 1.298308652944402E-006 1.298308652944402E-006 -4.251576081338886E-004 0.745153811787833 0.745153811786109 0.760978119360433 0.760978119360433 0.760545174280559 0.760545174280558 1.298308164172568E-006 1.298308164172568E-006 -4.251576081196330E-004 2) Finished k-point number 3 with #bands= 458 36) Finished k-point number 37 with #bands= 454 38) Finished k-point number 39 with #bands= 454 0) Finished k-point number 1 with #bands= 458 4) Finished k-point number 5 with #bands= 454 31) Finished k-point number 32 with #bands= 452 3) Finished k-point number 4 with #bands= 456 5) Finished k-point number 6 with #bands= 454 30) Finished k-point number 31 with #bands= 452 20) Finished k-point number 21 with #bands= 452 1) Finished k-point number 2 with #bands= 456 29) Finished k-point number 30 with #bands= 452 35) Finished k-point number 36 with #bands= 454 39) Finished k-point number 40 with #bands= 456 10) Finished k-point number 11 with #bands= 458 32) Finished k-point number 33 with #bands= 452 33) Finished k-point number 34 with #bands= 456 14) Finished k-point number 15 with #bands= 458 47) Finished k-point number 48 with #bands= 460 48) Finished k-point number 49 with #bands= 464 18) Finished k-point number 19 with #bands= 452 12) Finished k-point number 13 with #bands= 454 37) Finished k-point number 38 with #bands= 454 19) Finished k-point number 20 with #bands= 454 34) Finished k-point number 35 with #bands= 456 24) Finished k-point number 25 with #bands= 454 41) Finished k-point number 42 with #bands= 460 44) Finished k-point number 45 with #bands= 452 13) Finished k-point number 14 with #bands= 452 17) Finished k-point number 18 with #bands= 458 45) Finished k-point number 46 with #bands= 452 27) Finished k-point number 28 with #bands= 452 21) Finished k-point number 22 with #bands= 456 11) Finished k-point number 12 with #bands= 452 8) Finished k-point number 9 with #bands= 456 40) Finished k-point number 41 with #bands= 460 42) Finished k-point number 43 with #bands= 452 6) Finished k-point number 7 with #bands= 452 43) Finished k-point number 44 with #bands= 452 28) Finished k-point number 29 with #bands= 454 15) Finished k-point number 16 with #bands= 458 7) Finished k-point number 8 with #bands= 456 25) Finished k-point number 26 with #bands= 452 16) Finished k-point number 17 with #bands= 458 26) Finished k-point number 27 with #bands= 454 9) Finished k-point number 10 with #bands= 458 23) Finished k-point number 24 with #bands= 458 22) Finished k-point number 23 with #bands= 458 46) Finished k-point number 47 with #bands= 456 Eimp= -1.39531860975216 -1.39572648224421 -2.20317448759003 -2.20314672025270 -2.14332960818038 -2.14350210853421 6.010990127609317E-008 6.010990128163770E-008 5.809420609240071E-003 -1.39531860975478 -1.39572648224175 -2.20317448758805 -2.20314672024967 -2.14332960814355 -2.14350210850049 6.011021857086070E-008 6.011021857423649E-008 5.809420608914656E-003 -1.39531860975478 -1.39572648224175 -2.20317448758804 -2.20314672024968 -2.14332960814353 -2.14350210850051 -3.609839411220869E-008 -3.609839411430130E-008 5.809420608916141E-003 -1.39531860975216 -1.39572648224421 -2.20317448759003 -2.20314672025270 -2.14332960818038 -2.14350210853421 -3.609871149239672E-008 -3.609871148846964E-008 5.809420609241459E-003 -1.39534193478914 -1.39574978184470 -2.20321003947715 -2.20318229712846 -2.14336216341966 -2.14353455696905 -1.736977839969346E-006 -1.736977839966076E-006 5.803906843925230E-003 -1.39534193478702 -1.39574978184718 -2.20321003947914 -2.20318229713149 -2.14336216342786 -2.14353455700735 -1.736978166180513E-006 -1.736978166173512E-006 5.803906844238518E-003 -1.39534193478701 -1.39574978184718 -2.20321003947875 -2.20318229713110 -2.14336216342833 -2.14353455700781 1.760989636113456E-006 1.760989636124081E-006 5.803906844066738E-003 -1.39534193478915 -1.39574978184470 -2.20321003947676 -2.20318229712807 -2.14336216342010 -2.14353455696954 1.760989962335956E-006 1.760989962341962E-006 5.803906843753627E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -9.213199937107065E-009 -9.213199937107065E-009 -5.642226683357151E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -9.214043884058289E-009 -9.214043884058289E-009 -5.642226683059091E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.552815364872065E-008 2.552815364872065E-008 -5.642226683065899E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.552899815513717E-008 2.552899815513717E-008 -5.642226683359518E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.726021290542387E-006 -1.726021290542387E-006 -5.646000423692650E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.726020637168582E-006 -1.726020637168582E-006 -5.646000423881732E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.742336457801598E-006 1.742336457801598E-006 -5.646000426870046E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.742335801871055E-006 1.742335801871055E-006 -5.646000426680754E-004 =====>>> CPU TIME SUMMARY TOTAL : 596.8 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 20) Finished k-point number 21 with #bands= 452 1) Finished k-point number 2 with #bands= 456 39) Finished k-point number 40 with #bands= 456 21) Finished k-point number 22 with #bands= 456 33) Finished k-point number 34 with #bands= 456 7) Finished k-point number 8 with #bands= 456 0) Finished k-point number 1 with #bands= 458 3) Finished k-point number 4 with #bands= 456 18) Finished k-point number 19 with #bands= 452 19) Finished k-point number 20 with #bands= 454 15) Finished k-point number 16 with #bands= 458 31) Finished k-point number 32 with #bands= 452 25) Finished k-point number 26 with #bands= 452 34) Finished k-point number 35 with #bands= 456 29) Finished k-point number 30 with #bands= 452 23) Finished k-point number 24 with #bands= 458 32) Finished k-point number 33 with #bands= 452 22) Finished k-point number 23 with #bands= 458 27) Finished k-point number 28 with #bands= 452 24) Finished k-point number 25 with #bands= 454 5) Finished k-point number 6 with #bands= 454 35) Finished k-point number 36 with #bands= 454 37) Finished k-point number 38 with #bands= 454 30) Finished k-point number 31 with #bands= 452 4) Finished k-point number 5 with #bands= 454 38) Finished k-point number 39 with #bands= 454 16) Finished k-point number 17 with #bands= 458 2) Finished k-point number 3 with #bands= 458 45) Finished k-point number 46 with #bands= 452 43) Finished k-point number 44 with #bands= 452 14) Finished k-point number 15 with #bands= 458 36) Finished k-point number 37 with #bands= 454 28) Finished k-point number 29 with #bands= 454 48) Finished k-point number 49 with #bands= 464 41) Finished k-point number 42 with #bands= 460 46) Finished k-point number 47 with #bands= 456 17) Finished k-point number 18 with #bands= 458 44) Finished k-point number 45 with #bands= 452 26) Finished k-point number 27 with #bands= 454 47) Finished k-point number 48 with #bands= 460 9) Finished k-point number 10 with #bands= 458 13) Finished k-point number 14 with #bands= 452 11) Finished k-point number 12 with #bands= 452 10) Finished k-point number 11 with #bands= 458 40) Finished k-point number 41 with #bands= 460 12) Finished k-point number 13 with #bands= 454 6) Finished k-point number 7 with #bands= 452 42) Finished k-point number 43 with #bands= 452 8) Finished k-point number 9 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745152513192276 0.745152513192276 0.760973657216424 0.760973657216425 0.760542038235500 0.760542038235500 6.146970978675936E-009 6.146970978675936E-009 -4.228804001323495E-004 0.745152513192558 0.745152513192292 0.760973657216425 0.760973657216424 0.760542038235500 0.760542038235500 6.147218718675370E-009 6.147218718675370E-009 -4.228804001076194E-004 0.745152513192555 0.745152513192292 0.760973657216425 0.760973657216425 0.760542038235500 0.760542038235500 6.011149066102241E-009 6.011149066102241E-009 -4.228804001075370E-004 0.745152513192276 0.745152513192276 0.760973657216425 0.760973657216425 0.760542038235500 0.760542038235500 6.010899757398128E-009 6.010899757398128E-009 -4.228804001323463E-004 0.745151518746299 0.745151518745153 0.760970572633583 0.760970572633582 0.760540064967000 0.760540064967000 -1.577018643914508E-006 -1.577018643914508E-006 -4.226673347619731E-004 0.745151518745144 0.745151518745144 0.760970572633582 0.760970572633583 0.760540064967000 0.760540064967000 -1.577018445866002E-006 -1.577018445866002E-006 -4.226673347913374E-004 0.745151518745146 0.745151518745146 0.760970572633492 0.760970572633492 0.760540064967110 0.760540064967109 1.589176356184415E-006 1.589176356184415E-006 -4.226673350678657E-004 0.745151518746300 0.745151518745156 0.760970572633492 0.760970572633493 0.760540064967109 0.760540064967110 1.589176158694041E-006 1.589176158694041E-006 -4.226673350384916E-004 4) Finished k-point number 5 with #bands= 454 30) Finished k-point number 31 with #bands= 452 5) Finished k-point number 6 with #bands= 454 3) Finished k-point number 4 with #bands= 456 42) Finished k-point number 43 with #bands= 452 19) Finished k-point number 20 with #bands= 454 38) Finished k-point number 39 with #bands= 454 39) Finished k-point number 40 with #bands= 456 27) Finished k-point number 28 with #bands= 452 29) Finished k-point number 30 with #bands= 452 14) Finished k-point number 15 with #bands= 458 0) Finished k-point number 1 with #bands= 458 1) Finished k-point number 2 with #bands= 456 28) Finished k-point number 29 with #bands= 454 34) Finished k-point number 35 with #bands= 456 32) Finished k-point number 33 with #bands= 452 2) Finished k-point number 3 with #bands= 458 31) Finished k-point number 32 with #bands= 452 33) Finished k-point number 34 with #bands= 456 23) Finished k-point number 24 with #bands= 458 18) Finished k-point number 19 with #bands= 452 46) Finished k-point number 47 with #bands= 456 36) Finished k-point number 37 with #bands= 454 11) Finished k-point number 12 with #bands= 452 47) Finished k-point number 48 with #bands= 460 35) Finished k-point number 36 with #bands= 454 48) Finished k-point number 49 with #bands= 464 37) Finished k-point number 38 with #bands= 454 25) Finished k-point number 26 with #bands= 452 22) Finished k-point number 23 with #bands= 458 24) Finished k-point number 25 with #bands= 454 43) Finished k-point number 44 with #bands= 452 26) Finished k-point number 27 with #bands= 454 12) Finished k-point number 13 with #bands= 454 20) Finished k-point number 21 with #bands= 452 9) Finished k-point number 10 with #bands= 458 17) Finished k-point number 18 with #bands= 458 44) Finished k-point number 45 with #bands= 452 16) Finished k-point number 17 with #bands= 458 8) Finished k-point number 9 with #bands= 456 7) Finished k-point number 8 with #bands= 456 40) Finished k-point number 41 with #bands= 460 13) Finished k-point number 14 with #bands= 452 45) Finished k-point number 46 with #bands= 452 15) Finished k-point number 16 with #bands= 458 10) Finished k-point number 11 with #bands= 458 21) Finished k-point number 22 with #bands= 456 6) Finished k-point number 7 with #bands= 452 41) Finished k-point number 42 with #bands= 460 Eimp= -1.39504138344139 -1.39544979231989 -2.20292968768032 -2.20290195519504 -2.14301208787756 -2.14318490295500 1.200739103422662E-008 1.200739104585147E-008 5.772289492817668E-003 -1.39504138344081 -1.39544979231747 -2.20292968767837 -2.20290195519200 -2.14301208784254 -2.14318490292067 1.200768909531540E-008 1.200768909824858E-008 5.772289492482199E-003 -1.39504138344080 -1.39544979231747 -2.20292968767837 -2.20290195519200 -2.14301208784254 -2.14318490292067 1.199954924650954E-008 1.199954924447345E-008 5.772289492482139E-003 -1.39504138344139 -1.39544979231989 -2.20292968768032 -2.20290195519504 -2.14301208787756 -2.14318490295500 1.199925122230258E-008 1.199925121971800E-008 5.772289492817747E-003 -1.39508746298808 -1.39549585864604 -2.20298143188466 -2.20295364576907 -2.14306387689060 -2.14323676821754 -2.147708291400123E-006 -2.147708291404675E-006 5.775278550152372E-003 -1.39508746298701 -1.39549585864851 -2.20298143188660 -2.20295364577210 -2.14306387690571 -2.14323676825604 -2.147708596059341E-006 -2.147708596068206E-006 5.775278550481362E-003 -1.39508746298701 -1.39549585864851 -2.20298143188612 -2.20295364577162 -2.14306387690628 -2.14323676825660 2.171716012177568E-006 2.171716012175635E-006 5.775278550267372E-003 -1.39508746298807 -1.39549585864604 -2.20298143188418 -2.20295364576859 -2.14306387689117 -2.14323676821809 2.171716316859410E-006 2.171716316848989E-006 5.775278549938376E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.249279000753970E-009 8.249279000753970E-009 -5.615780958629496E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.249611474594327E-009 8.249611474594327E-009 -5.615780958301062E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.067005023135666E-009 8.067005023135666E-009 -5.615780958299881E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.066670450252999E-009 8.066670450252999E-009 -5.615780958629431E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.116373119074965E-006 -2.116373119074965E-006 -5.612966607564269E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.116372853298258E-006 -2.116372853298258E-006 -5.612966607954304E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.132688877644906E-006 2.132688877644906E-006 -5.612966611626893E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.132688612604265E-006 2.132688612604265E-006 -5.612966611236756E-004 =====>>> CPU TIME SUMMARY TOTAL : 614.8 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 27) Finished k-point number 28 with #bands= 452 5) Finished k-point number 6 with #bands= 454 21) Finished k-point number 22 with #bands= 456 1) Finished k-point number 2 with #bands= 456 3) Finished k-point number 4 with #bands= 456 38) Finished k-point number 39 with #bands= 454 11) Finished k-point number 12 with #bands= 452 39) Finished k-point number 40 with #bands= 456 2) Finished k-point number 3 with #bands= 458 29) Finished k-point number 30 with #bands= 452 24) Finished k-point number 25 with #bands= 454 15) Finished k-point number 16 with #bands= 458 0) Finished k-point number 1 with #bands= 458 4) Finished k-point number 5 with #bands= 454 18) Finished k-point number 19 with #bands= 452 26) Finished k-point number 27 with #bands= 454 25) Finished k-point number 26 with #bands= 452 22) Finished k-point number 23 with #bands= 458 16) Finished k-point number 17 with #bands= 458 17) Finished k-point number 18 with #bands= 458 47) Finished k-point number 48 with #bands= 460 20) Finished k-point number 21 with #bands= 452 48) Finished k-point number 49 with #bands= 464 33) Finished k-point number 34 with #bands= 456 31) Finished k-point number 32 with #bands= 452 35) Finished k-point number 36 with #bands= 454 37) Finished k-point number 38 with #bands= 454 34) Finished k-point number 35 with #bands= 456 46) Finished k-point number 47 with #bands= 456 45) Finished k-point number 46 with #bands= 452 19) Finished k-point number 20 with #bands= 454 32) Finished k-point number 33 with #bands= 452 44) Finished k-point number 45 with #bands= 452 28) Finished k-point number 29 with #bands= 454 43) Finished k-point number 44 with #bands= 452 14) Finished k-point number 15 with #bands= 458 23) Finished k-point number 24 with #bands= 458 30) Finished k-point number 31 with #bands= 452 36) Finished k-point number 37 with #bands= 454 42) Finished k-point number 43 with #bands= 452 6) Finished k-point number 7 with #bands= 452 10) Finished k-point number 11 with #bands= 458 12) Finished k-point number 13 with #bands= 454 8) Finished k-point number 9 with #bands= 456 41) Finished k-point number 42 with #bands= 460 13) Finished k-point number 14 with #bands= 452 9) Finished k-point number 10 with #bands= 458 40) Finished k-point number 41 with #bands= 460 7) Finished k-point number 8 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745167671447132 0.745167671447132 0.760980638277461 0.760980638277461 0.760553567501367 0.760553567501367 1.132517797015040E-008 1.132517797015040E-008 -4.229153168708331E-004 0.745167671448099 0.745167671447113 0.760980638277461 0.760980638277461 0.760553567501367 0.760553567501367 1.132503157042034E-008 1.132503157042034E-008 -4.229153168389325E-004 0.745167671448090 0.745167671447114 0.760980638277461 0.760980638277462 0.760553567501366 0.760553567501367 8.327484516152256E-010 8.327484516152256E-010 -4.229153168381569E-004 0.745167671447132 0.745167671447132 0.760980638277461 0.760980638277461 0.760553567501366 0.760553567501367 8.328901371624936E-010 8.328901371624936E-010 -4.229153168702744E-004 0.745166628417305 0.745166628415548 0.760981210324906 0.760981210324906 0.760553432026228 0.760553432026228 -5.131143191556107E-007 -5.131143191556107E-007 -4.227738443870947E-004 0.745166628415501 0.745166628415501 0.760981210324906 0.760981210324906 0.760553432026228 0.760553432026228 -5.131138532197091E-007 -5.131138532197091E-007 -4.227738444038479E-004 0.745166628415501 0.745166628415501 0.760981210324877 0.760981210324876 0.760553432026264 0.760553432026264 5.252721081247843E-007 5.252721081247843E-007 -4.227738444944757E-004 0.745166628417304 0.745166628415549 0.760981210324877 0.760981210324877 0.760553432026264 0.760553432026264 5.252716425733506E-007 5.252716425733506E-007 -4.227738444776015E-004 8) Finished k-point number 9 with #bands= 456 39) Finished k-point number 40 with #bands= 456 3) Finished k-point number 4 with #bands= 456 4) Finished k-point number 5 with #bands= 454 23) Finished k-point number 24 with #bands= 458 38) Finished k-point number 39 with #bands= 454 5) Finished k-point number 6 with #bands= 454 1) Finished k-point number 2 with #bands= 456 32) Finished k-point number 33 with #bands= 452 0) Finished k-point number 1 with #bands= 458 31) Finished k-point number 32 with #bands= 452 36) Finished k-point number 37 with #bands= 454 46) Finished k-point number 47 with #bands= 456 24) Finished k-point number 25 with #bands= 454 47) Finished k-point number 48 with #bands= 460 26) Finished k-point number 27 with #bands= 454 33) Finished k-point number 34 with #bands= 456 2) Finished k-point number 3 with #bands= 458 28) Finished k-point number 29 with #bands= 454 27) Finished k-point number 28 with #bands= 452 12) Finished k-point number 13 with #bands= 454 22) Finished k-point number 23 with #bands= 458 25) Finished k-point number 26 with #bands= 452 11) Finished k-point number 12 with #bands= 452 37) Finished k-point number 38 with #bands= 454 43) Finished k-point number 44 with #bands= 452 29) Finished k-point number 30 with #bands= 452 34) Finished k-point number 35 with #bands= 456 21) Finished k-point number 22 with #bands= 456 9) Finished k-point number 10 with #bands= 458 13) Finished k-point number 14 with #bands= 452 44) Finished k-point number 45 with #bands= 452 6) Finished k-point number 7 with #bands= 452 41) Finished k-point number 42 with #bands= 460 48) Finished k-point number 49 with #bands= 464 35) Finished k-point number 36 with #bands= 454 7) Finished k-point number 8 with #bands= 456 18) Finished k-point number 19 with #bands= 452 17) Finished k-point number 18 with #bands= 458 30) Finished k-point number 31 with #bands= 452 16) Finished k-point number 17 with #bands= 458 40) Finished k-point number 41 with #bands= 460 15) Finished k-point number 16 with #bands= 458 10) Finished k-point number 11 with #bands= 458 20) Finished k-point number 21 with #bands= 452 19) Finished k-point number 20 with #bands= 454 45) Finished k-point number 46 with #bands= 452 14) Finished k-point number 15 with #bands= 458 42) Finished k-point number 43 with #bands= 452 Eimp= -1.39566324465374 -1.39607084047657 -2.20344247122142 -2.20341479484647 -2.14373040937294 -2.14390282703353 5.502711979472634E-009 5.502711975403352E-009 5.854638428567053E-003 -1.39566324465448 -1.39607084047405 -2.20344247121946 -2.20341479484344 -2.14373040933332 -2.14390282699283 5.503029777054605E-009 5.503029784457983E-009 5.854638428247941E-003 -1.39566324465446 -1.39607084047405 -2.20344247121946 -2.20341479484344 -2.14373040933333 -2.14390282699284 1.851290929280816E-008 1.851290928257352E-008 5.854638428247964E-003 -1.39566324465374 -1.39607084047657 -2.20344247122142 -2.20341479484647 -2.14373040937294 -2.14390282703353 1.851259134291616E-008 1.851259135573652E-008 5.854638428567269E-003 -1.39564520296199 -1.39605281034591 -2.20344710331631 -2.20341940399659 -2.14372650975090 -2.14389893779689 -6.940482475113074E-007 -6.940482474947196E-007 5.857099350689211E-003 -1.39564520295974 -1.39605281034829 -2.20344710331829 -2.20341940399963 -2.14372650975563 -2.14389893783173 -6.940485746466109E-007 -6.940485746573553E-007 5.857099351022564E-003 -1.39564520295974 -1.39605281034829 -2.20344710331814 -2.20341940399947 -2.14372650975582 -2.14389893783192 7.180649723625143E-007 7.180649723718165E-007 5.857099350952714E-003 -1.39564520296199 -1.39605281034591 -2.20344710331616 -2.20341940399644 -2.14372650975109 -2.14389893779708 7.180652994189301E-007 7.180652994266660E-007 5.857099350619630E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.519816062952530E-008 1.519816062952530E-008 -5.616161762891548E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.519796416958648E-008 1.519796416958648E-008 -5.616161762467945E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.117531640917530E-009 1.117531640917530E-009 -5.616161762457652E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.117721781810540E-009 1.117721781810540E-009 -5.616161762884072E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -6.885900409218051E-007 -6.885900409218051E-007 -5.614284878745276E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -6.885894156465074E-007 -6.885894156465074E-007 -5.614284878967965E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.049055715794730E-007 7.049055715794730E-007 -5.614284880171563E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.049049468189958E-007 7.049049468189958E-007 -5.614284879947280E-004 =====>>> CPU TIME SUMMARY TOTAL : 588.3 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 22) Finished k-point number 23 with #bands= 458 35) Finished k-point number 36 with #bands= 454 37) Finished k-point number 38 with #bands= 454 11) Finished k-point number 12 with #bands= 452 29) Finished k-point number 30 with #bands= 452 12) Finished k-point number 13 with #bands= 454 13) Finished k-point number 14 with #bands= 452 45) Finished k-point number 46 with #bands= 452 27) Finished k-point number 28 with #bands= 452 40) Finished k-point number 41 with #bands= 460 20) Finished k-point number 21 with #bands= 452 48) Finished k-point number 49 with #bands= 464 46) Finished k-point number 47 with #bands= 456 31) Finished k-point number 32 with #bands= 452 36) Finished k-point number 37 with #bands= 454 34) Finished k-point number 35 with #bands= 456 33) Finished k-point number 34 with #bands= 456 30) Finished k-point number 31 with #bands= 452 28) Finished k-point number 29 with #bands= 454 7) Finished k-point number 8 with #bands= 456 32) Finished k-point number 33 with #bands= 452 16) Finished k-point number 17 with #bands= 458 19) Finished k-point number 20 with #bands= 454 47) Finished k-point number 48 with #bands= 460 21) Finished k-point number 22 with #bands= 456 44) Finished k-point number 45 with #bands= 452 6) Finished k-point number 7 with #bands= 452 25) Finished k-point number 26 with #bands= 452 18) Finished k-point number 19 with #bands= 452 42) Finished k-point number 43 with #bands= 452 17) Finished k-point number 18 with #bands= 458 26) Finished k-point number 27 with #bands= 454 9) Finished k-point number 10 with #bands= 458 0) Finished k-point number 1 with #bands= 458 41) Finished k-point number 42 with #bands= 460 24) Finished k-point number 25 with #bands= 454 23) Finished k-point number 24 with #bands= 458 5) Finished k-point number 6 with #bands= 454 39) Finished k-point number 40 with #bands= 456 15) Finished k-point number 16 with #bands= 458 10) Finished k-point number 11 with #bands= 458 8) Finished k-point number 9 with #bands= 456 1) Finished k-point number 2 with #bands= 456 38) Finished k-point number 39 with #bands= 454 2) Finished k-point number 3 with #bands= 458 43) Finished k-point number 44 with #bands= 452 4) Finished k-point number 5 with #bands= 454 14) Finished k-point number 15 with #bands= 458 3) Finished k-point number 4 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745157883455646 0.745157883455646 0.760969839706178 0.760969839706178 0.760543943920298 0.760543943920298 6.435813666451991E-009 6.435813666451991E-009 -4.249852483920799E-004 0.745157883455560 0.745157883455641 0.760969839706178 0.760969839706178 0.760543943920298 0.760543943920298 6.436214224896874E-009 6.436214224896874E-009 -4.249852483761811E-004 0.745157883455557 0.745157883455641 0.760969839706178 0.760969839706178 0.760543943920298 0.760543943920298 5.722218517239779E-009 5.722218517239779E-009 -4.249852483761112E-004 0.745157883455646 0.745157883455646 0.760969839706178 0.760969839706178 0.760543943920298 0.760543943920298 5.721816182649509E-009 5.721816182649509E-009 -4.249852483919759E-004 0.745159130766445 0.745159130766426 0.760969791216213 0.760969791216213 0.760544504506948 0.760544504506948 -2.153002500715807E-007 -2.153002500715807E-007 -4.241352700355150E-004 0.745159130766386 0.745159130766386 0.760969791216213 0.760969791216213 0.760544504506948 0.760544504506948 -2.153006463988239E-007 -2.153006463988239E-007 -4.241352700290538E-004 0.745159130766386 0.745159130766386 0.760969791216200 0.760969791216200 0.760544504506964 0.760544504506964 2.274584535664074E-007 2.274584535664074E-007 -4.241352700678405E-004 0.745159130766452 0.745159130766426 0.760969791216200 0.760969791216200 0.760544504506964 0.760544504506964 2.274588455448697E-007 2.274588455448697E-007 -4.241352700744319E-004 1) Finished k-point number 2 with #bands= 456 7) Finished k-point number 8 with #bands= 456 37) Finished k-point number 38 with #bands= 454 33) Finished k-point number 34 with #bands= 456 15) Finished k-point number 16 with #bands= 458 39) Finished k-point number 40 with #bands= 456 22) Finished k-point number 23 with #bands= 458 23) Finished k-point number 24 with #bands= 458 34) Finished k-point number 35 with #bands= 456 29) Finished k-point number 30 with #bands= 452 27) Finished k-point number 28 with #bands= 452 41) Finished k-point number 42 with #bands= 460 4) Finished k-point number 5 with #bands= 454 2) Finished k-point number 3 with #bands= 458 0) Finished k-point number 1 with #bands= 458 3) Finished k-point number 4 with #bands= 456 47) Finished k-point number 48 with #bands= 460 32) Finished k-point number 33 with #bands= 452 26) Finished k-point number 27 with #bands= 454 44) Finished k-point number 45 with #bands= 452 35) Finished k-point number 36 with #bands= 454 20) Finished k-point number 21 with #bands= 452 31) Finished k-point number 32 with #bands= 452 28) Finished k-point number 29 with #bands= 454 14) Finished k-point number 15 with #bands= 458 24) Finished k-point number 25 with #bands= 454 5) Finished k-point number 6 with #bands= 454 38) Finished k-point number 39 with #bands= 454 46) Finished k-point number 47 with #bands= 456 48) Finished k-point number 49 with #bands= 464 10) Finished k-point number 11 with #bands= 458 17) Finished k-point number 18 with #bands= 458 25) Finished k-point number 26 with #bands= 452 6) Finished k-point number 7 with #bands= 452 13) Finished k-point number 14 with #bands= 452 21) Finished k-point number 22 with #bands= 456 19) Finished k-point number 20 with #bands= 454 9) Finished k-point number 10 with #bands= 458 36) Finished k-point number 37 with #bands= 454 30) Finished k-point number 31 with #bands= 452 11) Finished k-point number 12 with #bands= 452 12) Finished k-point number 13 with #bands= 454 43) Finished k-point number 44 with #bands= 452 16) Finished k-point number 17 with #bands= 458 45) Finished k-point number 46 with #bands= 452 40) Finished k-point number 41 with #bands= 460 42) Finished k-point number 43 with #bands= 452 18) Finished k-point number 19 with #bands= 452 8) Finished k-point number 9 with #bands= 456 Eimp= -1.39491245384480 -1.39531978909791 -2.20260065035325 -2.20257285632024 -2.14302892290081 -2.14320110319509 1.284770057698767E-008 1.284770057395502E-008 5.921054929079443E-003 -1.39491245384355 -1.39531978909540 -2.20260065035131 -2.20257285631719 -2.14302892285762 -2.14320110315393 1.284801837817596E-008 1.284801836444773E-008 5.921054928738686E-003 -1.39491245384355 -1.39531978909540 -2.20260065035131 -2.20257285631720 -2.14302892285762 -2.14320110315393 1.115514313668112E-008 1.115514314643117E-008 5.921054928738027E-003 -1.39491245384480 -1.39531978909791 -2.20260065035325 -2.20257285632025 -2.14302892290081 -2.14320110319509 1.115482521548970E-008 1.115482522278268E-008 5.921054929078939E-003 -1.39488868501169 -1.39529606106650 -2.20257486344964 -2.20254705779847 -2.14300342516090 -2.14317555587511 -2.819952076354668E-007 -2.819952076255789E-007 5.920073062030190E-003 -1.39488868501270 -1.39529606106891 -2.20257486345160 -2.20254705780152 -2.14300342516601 -2.14317555590744 -2.819955262373040E-007 -2.819955262342247E-007 5.920073062379214E-003 -1.39488868501269 -1.39529606106890 -2.20257486345153 -2.20254705780145 -2.14300342516610 -2.14317555590753 3.059995142553635E-007 3.059995142534435E-007 5.920073062350559E-003 -1.39488868501170 -1.39529606106650 -2.20257486344957 -2.20254705779840 -2.14300342516099 -2.14317555587519 3.059998327511482E-007 3.059998327599844E-007 5.920073062001497E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.636845704224531E-009 8.636845704224531E-009 -5.643726810666113E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.637383260666615E-009 8.637383260666615E-009 -5.643726810454945E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.679202820983750E-009 7.679202820983750E-009 -5.643726810454009E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.678662883650256E-009 7.678662883650256E-009 -5.643726810664677E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.889319088845581E-007 -2.889319088845581E-007 -5.632434718091100E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.889324407486840E-007 -2.889324407486840E-007 -5.632434718005447E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.052481599939544E-007 3.052481599939544E-007 -5.632434718520526E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.052486860280671E-007 3.052486860280671E-007 -5.632434718607976E-004 =====>>> CPU TIME SUMMARY TOTAL : 619.2 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 37) Finished k-point number 38 with #bands= 454 33) Finished k-point number 34 with #bands= 456 2) Finished k-point number 3 with #bands= 458 29) Finished k-point number 30 with #bands= 452 28) Finished k-point number 29 with #bands= 454 26) Finished k-point number 27 with #bands= 454 47) Finished k-point number 48 with #bands= 460 24) Finished k-point number 25 with #bands= 454 22) Finished k-point number 23 with #bands= 458 8) Finished k-point number 9 with #bands= 456 5) Finished k-point number 6 with #bands= 454 4) Finished k-point number 5 with #bands= 454 36) Finished k-point number 37 with #bands= 454 30) Finished k-point number 31 with #bands= 452 21) Finished k-point number 22 with #bands= 456 0) Finished k-point number 1 with #bands= 458 3) Finished k-point number 4 with #bands= 456 23) Finished k-point number 24 with #bands= 458 38) Finished k-point number 39 with #bands= 454 42) Finished k-point number 43 with #bands= 452 39) Finished k-point number 40 with #bands= 456 25) Finished k-point number 26 with #bands= 452 1) Finished k-point number 2 with #bands= 456 34) Finished k-point number 35 with #bands= 456 46) Finished k-point number 47 with #bands= 456 16) Finished k-point number 17 with #bands= 458 27) Finished k-point number 28 with #bands= 452 18) Finished k-point number 19 with #bands= 452 48) Finished k-point number 49 with #bands= 464 6) Finished k-point number 7 with #bands= 452 12) Finished k-point number 13 with #bands= 454 11) Finished k-point number 12 with #bands= 452 14) Finished k-point number 15 with #bands= 458 31) Finished k-point number 32 with #bands= 452 10) Finished k-point number 11 with #bands= 458 32) Finished k-point number 33 with #bands= 452 35) Finished k-point number 36 with #bands= 454 45) Finished k-point number 46 with #bands= 452 9) Finished k-point number 10 with #bands= 458 41) Finished k-point number 42 with #bands= 460 43) Finished k-point number 44 with #bands= 452 44) Finished k-point number 45 with #bands= 452 15) Finished k-point number 16 with #bands= 458 20) Finished k-point number 21 with #bands= 452 7) Finished k-point number 8 with #bands= 456 19) Finished k-point number 20 with #bands= 454 13) Finished k-point number 14 with #bands= 452 40) Finished k-point number 41 with #bands= 460 17) Finished k-point number 18 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745165491785751 0.745165491785751 0.760981322762034 0.760981322762034 0.760552006272549 0.760552006272550 5.636158002979409E-009 5.636158002979409E-009 -4.233884524061259E-004 0.745165491786061 0.745165491785750 0.760981322762034 0.760981322762034 0.760552006272550 0.760552006272549 5.636367263977022E-009 5.636367263977022E-009 -4.233884524100248E-004 0.745165491786077 0.745165491785750 0.760981322762033 0.760981322762033 0.760552006272550 0.760552006272551 6.521980542693447E-009 6.521980542693447E-009 -4.233884524105984E-004 0.745165491785751 0.745165491785751 0.760981322762033 0.760981322762033 0.760552006272551 0.760552006272550 6.521779382429286E-009 6.521779382429286E-009 -4.233884524064437E-004 0.745164164697833 0.745164164696153 0.760980434781778 0.760980434781778 0.760550909645500 0.760550909645500 -8.945080601359872E-007 -8.945080601359872E-007 -4.227340516620532E-004 0.745164164696124 0.745164164696124 0.760980434781778 0.760980434781778 0.760550909645500 0.760550909645500 -8.945076135548491E-007 -8.945076135548491E-007 -4.227340516622560E-004 0.745164164696125 0.745164164696125 0.760980434781727 0.760980434781727 0.760550909645563 0.760550909645563 9.066657506188435E-007 9.066657506188435E-007 -4.227340518199700E-004 0.745164164697841 0.745164164696153 0.760980434781727 0.760980434781727 0.760550909645563 0.760550909645563 9.066653002766634E-007 9.066653002766634E-007 -4.227340518200635E-004 30) Finished k-point number 31 with #bands= 452 1) Finished k-point number 2 with #bands= 456 22) Finished k-point number 23 with #bands= 458 0) Finished k-point number 1 with #bands= 458 5) Finished k-point number 6 with #bands= 454 39) Finished k-point number 40 with #bands= 456 29) Finished k-point number 30 with #bands= 452 3) Finished k-point number 4 with #bands= 456 34) Finished k-point number 35 with #bands= 456 28) Finished k-point number 29 with #bands= 454 4) Finished k-point number 5 with #bands= 454 19) Finished k-point number 20 with #bands= 454 38) Finished k-point number 39 with #bands= 454 47) Finished k-point number 48 with #bands= 460 2) Finished k-point number 3 with #bands= 458 31) Finished k-point number 32 with #bands= 452 25) Finished k-point number 26 with #bands= 452 26) Finished k-point number 27 with #bands= 454 24) Finished k-point number 25 with #bands= 454 46) Finished k-point number 47 with #bands= 456 32) Finished k-point number 33 with #bands= 452 21) Finished k-point number 22 with #bands= 456 23) Finished k-point number 24 with #bands= 458 27) Finished k-point number 28 with #bands= 452 11) Finished k-point number 12 with #bands= 452 9) Finished k-point number 10 with #bands= 458 10) Finished k-point number 11 with #bands= 458 12) Finished k-point number 13 with #bands= 454 35) Finished k-point number 36 with #bands= 454 33) Finished k-point number 34 with #bands= 456 18) Finished k-point number 19 with #bands= 452 44) Finished k-point number 45 with #bands= 452 15) Finished k-point number 16 with #bands= 458 7) Finished k-point number 8 with #bands= 456 42) Finished k-point number 43 with #bands= 452 36) Finished k-point number 37 with #bands= 454 37) Finished k-point number 38 with #bands= 454 6) Finished k-point number 7 with #bands= 452 45) Finished k-point number 46 with #bands= 452 13) Finished k-point number 14 with #bands= 452 20) Finished k-point number 21 with #bands= 452 43) Finished k-point number 44 with #bands= 452 41) Finished k-point number 42 with #bands= 460 40) Finished k-point number 41 with #bands= 460 48) Finished k-point number 49 with #bands= 464 14) Finished k-point number 15 with #bands= 458 16) Finished k-point number 17 with #bands= 458 17) Finished k-point number 18 with #bands= 458 8) Finished k-point number 9 with #bands= 456 Eimp= -1.39558200544000 -1.39598954926451 -2.20347957741413 -2.20345186703278 -2.14358121243340 -2.14375358089658 1.276808265911163E-008 1.276808266258340E-008 5.783946939035143E-003 -1.39558200543948 -1.39598954926203 -2.20347957741216 -2.20345186702973 -2.14358121240247 -2.14375358085544 1.276839987885790E-008 1.276839986888702E-008 5.783946938723430E-003 -1.39558200543951 -1.39598954926203 -2.20347957741215 -2.20345186702972 -2.14358121240247 -2.14375358085539 1.124692781166997E-008 1.124692781939183E-008 5.783946938723966E-003 -1.39558200544000 -1.39598954926451 -2.20347957741413 -2.20345186703277 -2.14358121243341 -2.14375358089658 1.124661069267253E-008 1.124661068629769E-008 5.783946939035774E-003 -1.39560154275749 -1.39600911453220 -2.20350197407098 -2.20347428127071 -2.14360869434634 -2.14378105434962 -1.227021379933821E-006 -1.227021379941473E-006 5.784794351724457E-003 -1.39560154275540 -1.39600911453464 -2.20350197407295 -2.20347428127376 -2.14360869435319 -2.14378105438419 -1.227021698822124E-006 -1.227021698817977E-006 5.784794352039293E-003 -1.39560154275540 -1.39600911453464 -2.20350197407268 -2.20347428127348 -2.14360869435351 -2.14378105438451 1.251037870453777E-006 1.251037870455107E-006 5.784794351917087E-003 -1.39560154275750 -1.39600911453219 -2.20350197407070 -2.20347428127044 -2.14360869434667 -2.14378105434995 1.251038189362768E-006 1.251038189364867E-006 5.784794351602305E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.563632593903665E-009 7.563632593903665E-009 -5.622450525295116E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.563913420019862E-009 7.563913420019862E-009 -5.622450525346851E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.752392068265891E-009 8.752392068265891E-009 -5.622450525354474E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.752122117749467E-009 8.752122117749467E-009 -5.622450525299302E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.200417441562256E-006 -1.200417441562256E-006 -5.613768586549211E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.200416842268605E-006 -1.200416842268605E-006 -5.613768586551987E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.216732893995308E-006 1.216732893995308E-006 -5.613768588646562E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.216732289652745E-006 1.216732289652745E-006 -5.613768588647680E-004 =====>>> CPU TIME SUMMARY TOTAL : 589.0 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 5) Finished k-point number 6 with #bands= 454 3) Finished k-point number 4 with #bands= 456 39) Finished k-point number 40 with #bands= 456 32) Finished k-point number 33 with #bands= 452 45) Finished k-point number 46 with #bands= 452 38) Finished k-point number 39 with #bands= 454 2) Finished k-point number 3 with #bands= 458 21) Finished k-point number 22 with #bands= 456 1) Finished k-point number 2 with #bands= 456 12) Finished k-point number 13 with #bands= 454 15) Finished k-point number 16 with #bands= 458 17) Finished k-point number 18 with #bands= 458 19) Finished k-point number 20 with #bands= 454 18) Finished k-point number 19 with #bands= 452 22) Finished k-point number 23 with #bands= 458 35) Finished k-point number 36 with #bands= 454 37) Finished k-point number 38 with #bands= 454 33) Finished k-point number 34 with #bands= 456 48) Finished k-point number 49 with #bands= 464 34) Finished k-point number 35 with #bands= 456 4) Finished k-point number 5 with #bands= 454 0) Finished k-point number 1 with #bands= 458 46) Finished k-point number 47 with #bands= 456 43) Finished k-point number 44 with #bands= 452 24) Finished k-point number 25 with #bands= 454 30) Finished k-point number 31 with #bands= 452 27) Finished k-point number 28 with #bands= 452 36) Finished k-point number 37 with #bands= 454 10) Finished k-point number 11 with #bands= 458 8) Finished k-point number 9 with #bands= 456 31) Finished k-point number 32 with #bands= 452 41) Finished k-point number 42 with #bands= 460 40) Finished k-point number 41 with #bands= 460 16) Finished k-point number 17 with #bands= 458 20) Finished k-point number 21 with #bands= 452 14) Finished k-point number 15 with #bands= 458 44) Finished k-point number 45 with #bands= 452 25) Finished k-point number 26 with #bands= 452 47) Finished k-point number 48 with #bands= 460 26) Finished k-point number 27 with #bands= 454 29) Finished k-point number 30 with #bands= 452 28) Finished k-point number 29 with #bands= 454 23) Finished k-point number 24 with #bands= 458 11) Finished k-point number 12 with #bands= 452 7) Finished k-point number 8 with #bands= 456 13) Finished k-point number 14 with #bands= 452 9) Finished k-point number 10 with #bands= 458 42) Finished k-point number 43 with #bands= 452 6) Finished k-point number 7 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745183084265308 0.745183084265308 0.760996597950947 0.760996597950947 0.760569323970054 0.760569323970054 5.121641425363973E-009 5.121641425363973E-009 -4.235372075063972E-004 0.745183084265062 0.745183084265288 0.760996597950947 0.760996597950947 0.760569323970054 0.760569323970054 5.122099397316084E-009 5.122099397316084E-009 -4.235372074953157E-004 0.745183084265066 0.745183084265287 0.760996597950946 0.760996597950946 0.760569323970055 0.760569323970055 7.037039028965320E-009 7.037039028965320E-009 -4.235372074956094E-004 0.745183084265308 0.745183084265308 0.760996597950946 0.760996597950946 0.760569323970055 0.760569323970055 7.036583063700176E-009 7.036583063700176E-009 -4.235372075065715E-004 0.745181702990094 0.745181702988681 0.760996211768004 0.760996211768004 0.760568467399552 0.760568467399552 -8.796593980101610E-007 -8.796593980101610E-007 -4.228697124925622E-004 0.745181702988651 0.745181702988651 0.760996211768004 0.760996211768004 0.760568467399552 0.760568467399552 -8.796590863185057E-007 -8.796590863185057E-007 -4.228697124952571E-004 0.745181702988652 0.745181702988652 0.760996211767954 0.760996211767954 0.760568467399613 0.760568467399613 8.918175707541099E-007 8.918175707541099E-007 -4.228697126498604E-004 0.745181702990096 0.745181702988682 0.760996211767954 0.760996211767954 0.760568467399613 0.760568467399613 8.918172584765852E-007 8.918172584765852E-007 -4.228697126471005E-004 5) Finished k-point number 6 with #bands= 454 39) Finished k-point number 40 with #bands= 456 1) Finished k-point number 2 with #bands= 456 2) Finished k-point number 3 with #bands= 458 38) Finished k-point number 39 with #bands= 454 37) Finished k-point number 38 with #bands= 454 3) Finished k-point number 4 with #bands= 456 0) Finished k-point number 1 with #bands= 458 4) Finished k-point number 5 with #bands= 454 31) Finished k-point number 32 with #bands= 452 24) Finished k-point number 25 with #bands= 454 32) Finished k-point number 33 with #bands= 452 47) Finished k-point number 48 with #bands= 460 36) Finished k-point number 37 with #bands= 454 30) Finished k-point number 31 with #bands= 452 35) Finished k-point number 36 with #bands= 454 34) Finished k-point number 35 with #bands= 456 29) Finished k-point number 30 with #bands= 452 48) Finished k-point number 49 with #bands= 464 33) Finished k-point number 34 with #bands= 456 25) Finished k-point number 26 with #bands= 452 46) Finished k-point number 47 with #bands= 456 26) Finished k-point number 27 with #bands= 454 28) Finished k-point number 29 with #bands= 454 21) Finished k-point number 22 with #bands= 456 15) Finished k-point number 16 with #bands= 458 19) Finished k-point number 20 with #bands= 454 12) Finished k-point number 13 with #bands= 454 11) Finished k-point number 12 with #bands= 452 43) Finished k-point number 44 with #bands= 452 22) Finished k-point number 23 with #bands= 458 20) Finished k-point number 21 with #bands= 452 27) Finished k-point number 28 with #bands= 452 14) Finished k-point number 15 with #bands= 458 13) Finished k-point number 14 with #bands= 452 16) Finished k-point number 17 with #bands= 458 45) Finished k-point number 46 with #bands= 452 17) Finished k-point number 18 with #bands= 458 18) Finished k-point number 19 with #bands= 452 8) Finished k-point number 9 with #bands= 456 44) Finished k-point number 45 with #bands= 452 23) Finished k-point number 24 with #bands= 458 42) Finished k-point number 43 with #bands= 452 9) Finished k-point number 10 with #bands= 458 6) Finished k-point number 7 with #bands= 452 41) Finished k-point number 42 with #bands= 460 7) Finished k-point number 8 with #bands= 456 10) Finished k-point number 11 with #bands= 458 40) Finished k-point number 41 with #bands= 460 Eimp= -1.39664536725811 -1.39705365713990 -2.20441300254830 -2.20438513652991 -2.14478439171591 -2.14495699683414 1.459184756670882E-008 1.459184756153499E-008 5.888635601064506E-003 -1.39664536725657 -1.39705365713737 -2.20441300254634 -2.20438513652687 -2.14478439167761 -2.14495699679709 1.459217731369273E-008 1.459217730429612E-008 5.888635600734416E-003 -1.39664536725657 -1.39705365713736 -2.20441300254634 -2.20438513652687 -2.14478439167760 -2.14495699679708 9.439911111966640E-009 9.439911106699073E-009 5.888635600734360E-003 -1.39664536725811 -1.39705365713990 -2.20441300254829 -2.20438513652991 -2.14478439171591 -2.14495699683414 9.439581454269068E-009 9.439581458938469E-009 5.888635601064528E-003 -1.39664873480783 -1.39705702945847 -2.20442637087466 -2.20439851274230 -2.14479744367781 -2.14497009073494 -1.195067230975774E-006 -1.195067230984355E-006 5.888575033232872E-003 -1.39664873480622 -1.39705702946088 -2.20442637087661 -2.20439851274535 -2.14479744368768 -2.14497009076568 -1.195067536620726E-006 -1.195067536607295E-006 5.888575033548006E-003 -1.39664873480622 -1.39705702946088 -2.20442637087635 -2.20439851274508 -2.14479744368800 -2.14497009076599 1.219100288028625E-006 1.219100288027525E-006 5.888575033428914E-003 -1.39664873480782 -1.39705702945847 -2.20442637087440 -2.20439851274204 -2.14479744367813 -2.14497009073526 1.219100593713257E-006 1.219100593719233E-006 5.888575033113659E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.872997434185966E-009 6.872997434185966E-009 -5.624303101049611E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.873612006243657E-009 6.873612006243657E-009 -5.624303100902543E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.443369254679549E-009 9.443369254679549E-009 -5.624303100906466E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.442757373176413E-009 9.442757373176413E-009 -5.624303101051929E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.180462958871248E-006 -1.180462958871248E-006 -5.615445823636602E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.180462540601527E-006 -1.180462540601527E-006 -5.615445823672527E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.196778674482358E-006 1.196778674482358E-006 -5.615445825725770E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.196778255423556E-006 1.196778255423556E-006 -5.615445825688984E-004 =====>>> CPU TIME SUMMARY TOTAL : 584.0 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 31) Finished k-point number 32 with #bands= 452 3) Finished k-point number 4 with #bands= 456 38) Finished k-point number 39 with #bands= 454 18) Finished k-point number 19 with #bands= 452 43) Finished k-point number 44 with #bands= 452 5) Finished k-point number 6 with #bands= 454 39) Finished k-point number 40 with #bands= 456 1) Finished k-point number 2 with #bands= 456 2) Finished k-point number 3 with #bands= 458 4) Finished k-point number 5 with #bands= 454 28) Finished k-point number 29 with #bands= 454 25) Finished k-point number 26 with #bands= 452 23) Finished k-point number 24 with #bands= 458 0) Finished k-point number 1 with #bands= 458 40) Finished k-point number 41 with #bands= 460 36) Finished k-point number 37 with #bands= 454 29) Finished k-point number 30 with #bands= 452 33) Finished k-point number 34 with #bands= 456 21) Finished k-point number 22 with #bands= 456 37) Finished k-point number 38 with #bands= 454 30) Finished k-point number 31 with #bands= 452 15) Finished k-point number 16 with #bands= 458 47) Finished k-point number 48 with #bands= 460 17) Finished k-point number 18 with #bands= 458 48) Finished k-point number 49 with #bands= 464 16) Finished k-point number 17 with #bands= 458 22) Finished k-point number 23 with #bands= 458 20) Finished k-point number 21 with #bands= 452 19) Finished k-point number 20 with #bands= 454 32) Finished k-point number 33 with #bands= 452 44) Finished k-point number 45 with #bands= 452 42) Finished k-point number 43 with #bands= 452 11) Finished k-point number 12 with #bands= 452 6) Finished k-point number 7 with #bands= 452 24) Finished k-point number 25 with #bands= 454 27) Finished k-point number 28 with #bands= 452 45) Finished k-point number 46 with #bands= 452 26) Finished k-point number 27 with #bands= 454 46) Finished k-point number 47 with #bands= 456 14) Finished k-point number 15 with #bands= 458 35) Finished k-point number 36 with #bands= 454 34) Finished k-point number 35 with #bands= 456 8) Finished k-point number 9 with #bands= 456 12) Finished k-point number 13 with #bands= 454 13) Finished k-point number 14 with #bands= 452 7) Finished k-point number 8 with #bands= 456 41) Finished k-point number 42 with #bands= 460 9) Finished k-point number 10 with #bands= 458 10) Finished k-point number 11 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745193531958418 0.745193531958418 0.761004756616764 0.761004756616764 0.760578373684192 0.760578373684192 7.954138419322377E-009 7.954138419322377E-009 -4.241635942483581E-004 0.745193531957946 0.745193531958386 0.761004756616764 0.761004756616764 0.760578373684192 0.760578373684192 7.954691187873636E-009 7.954691187873636E-009 -4.241635942409164E-004 0.745193531957952 0.745193531958386 0.761004756616764 0.761004756616763 0.760578373684192 0.760578373684192 4.204680349812716E-009 4.204680349812716E-009 -4.241635942411193E-004 0.745193531958418 0.745193531958418 0.761004756616763 0.761004756616763 0.760578373684192 0.760578373684192 4.204130337953525E-009 4.204130337953525E-009 -4.241635942485094E-004 0.745191817016348 0.745191817015627 0.761002457344193 0.761002457344193 0.760576375962847 0.760576375962848 -1.501893886811639E-006 -1.501893886811639E-006 -4.230561709990858E-004 0.745191817015612 0.745191817015612 0.761002457344193 0.761002457344193 0.760576375962848 0.760576375962847 -1.501893906592323E-006 -1.501893906592323E-006 -4.230561709943074E-004 0.745191817015614 0.745191817015614 0.761002457344107 0.761002457344107 0.760576375962952 0.760576375962952 1.514052422477401E-006 1.514052422477401E-006 -4.230561712577727E-004 0.745191817016350 0.745191817015629 0.761002457344107 0.761002457344107 0.760576375962952 0.760576375962952 1.514052442429285E-006 1.514052442429285E-006 -4.230561712627531E-004 0) Finished k-point number 1 with #bands= 458 5) Finished k-point number 6 with #bands= 454 39) Finished k-point number 40 with #bands= 456 38) Finished k-point number 39 with #bands= 454 4) Finished k-point number 5 with #bands= 454 3) Finished k-point number 4 with #bands= 456 1) Finished k-point number 2 with #bands= 456 29) Finished k-point number 30 with #bands= 452 2) Finished k-point number 3 with #bands= 458 31) Finished k-point number 32 with #bands= 452 45) Finished k-point number 46 with #bands= 452 8) Finished k-point number 9 with #bands= 456 32) Finished k-point number 33 with #bands= 452 36) Finished k-point number 37 with #bands= 454 24) Finished k-point number 25 with #bands= 454 35) Finished k-point number 36 with #bands= 454 30) Finished k-point number 31 with #bands= 452 27) Finished k-point number 28 with #bands= 452 33) Finished k-point number 34 with #bands= 456 25) Finished k-point number 26 with #bands= 452 46) Finished k-point number 47 with #bands= 456 44) Finished k-point number 45 with #bands= 452 22) Finished k-point number 23 with #bands= 458 26) Finished k-point number 27 with #bands= 454 17) Finished k-point number 18 with #bands= 458 34) Finished k-point number 35 with #bands= 456 37) Finished k-point number 38 with #bands= 454 6) Finished k-point number 7 with #bands= 452 23) Finished k-point number 24 with #bands= 458 28) Finished k-point number 29 with #bands= 454 18) Finished k-point number 19 with #bands= 452 48) Finished k-point number 49 with #bands= 464 47) Finished k-point number 48 with #bands= 460 9) Finished k-point number 10 with #bands= 458 10) Finished k-point number 11 with #bands= 458 43) Finished k-point number 44 with #bands= 452 11) Finished k-point number 12 with #bands= 452 41) Finished k-point number 42 with #bands= 460 15) Finished k-point number 16 with #bands= 458 13) Finished k-point number 14 with #bands= 452 19) Finished k-point number 20 with #bands= 454 40) Finished k-point number 41 with #bands= 460 12) Finished k-point number 13 with #bands= 454 7) Finished k-point number 8 with #bands= 456 21) Finished k-point number 22 with #bands= 456 42) Finished k-point number 43 with #bands= 452 14) Finished k-point number 15 with #bands= 458 16) Finished k-point number 17 with #bands= 458 20) Finished k-point number 21 with #bands= 452 Eimp= -1.39726080186893 -1.39766827195746 -2.20504885434317 -2.20502123069280 -2.14540533141854 -2.14557771254318 6.215913609592859E-009 6.215913609659987E-009 5.880890713461771E-003 -1.39726080186696 -1.39766827195493 -2.20504885434120 -2.20502123068976 -2.14540533138181 -2.14557771250182 6.216233862836486E-009 6.216233849277318E-009 5.880890713152120E-003 -1.39726080186697 -1.39766827195493 -2.20504885434119 -2.20502123068975 -2.14540533138181 -2.14557771250183 1.782554466345833E-008 1.782554466236412E-008 5.880890713152970E-003 -1.39726080186893 -1.39766827195746 -2.20504885434317 -2.20502123069279 -2.14540533141854 -2.14557771254318 1.782522451847440E-008 1.782522451989636E-008 5.880890713462486E-003 -1.39729313730128 -1.39770062627620 -2.20508888027592 -2.20506125413515 -2.14544893435216 -2.14562126947043 -2.043999906722101E-006 -2.043999906718846E-006 5.883293757071600E-003 -1.39729313730100 -1.39770062627864 -2.20508888027789 -2.20506125413820 -2.14544893435822 -2.14562126949980 -2.044000216509570E-006 -2.044000216485256E-006 5.883293757375403E-003 -1.39729313730100 -1.39770062627864 -2.20508888027743 -2.20506125413774 -2.14544893435876 -2.14562126950034 2.068043835478821E-006 2.068043835463571E-006 5.883293757172753E-003 -1.39729313730128 -1.39770062627620 -2.20508888027546 -2.20506125413470 -2.14544893435271 -2.14562126947097 2.068044145329131E-006 2.068044145326248E-006 5.883293756868491E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.067392305187974E-008 1.067392305187974E-008 -5.632551437764271E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.067466483089515E-008 1.067466483089515E-008 -5.632551437665596E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.642400482302071E-009 5.642400482302071E-009 -5.632551437668271E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.641662405769506E-009 5.641662405769506E-009 -5.632551437766273E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.015446026801120E-006 -2.015446026801120E-006 -5.617860698657887E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.015446053345256E-006 -2.015446053345256E-006 -5.617860698594523E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.031762007989258E-006 2.031762007989258E-006 -5.617860702093460E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.031762034762837E-006 2.031762034762837E-006 -5.617860702159525E-004 =====>>> CPU TIME SUMMARY TOTAL : 549.5 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 4) Finished k-point number 5 with #bands= 454 15) Finished k-point number 16 with #bands= 458 45) Finished k-point number 46 with #bands= 452 18) Finished k-point number 19 with #bands= 452 36) Finished k-point number 37 with #bands= 454 40) Finished k-point number 41 with #bands= 460 48) Finished k-point number 49 with #bands= 464 5) Finished k-point number 6 with #bands= 454 39) Finished k-point number 40 with #bands= 456 3) Finished k-point number 4 with #bands= 456 2) Finished k-point number 3 with #bands= 458 38) Finished k-point number 39 with #bands= 454 19) Finished k-point number 20 with #bands= 454 16) Finished k-point number 17 with #bands= 458 17) Finished k-point number 18 with #bands= 458 31) Finished k-point number 32 with #bands= 452 33) Finished k-point number 34 with #bands= 456 37) Finished k-point number 38 with #bands= 454 35) Finished k-point number 36 with #bands= 454 30) Finished k-point number 31 with #bands= 452 21) Finished k-point number 22 with #bands= 456 20) Finished k-point number 21 with #bands= 452 28) Finished k-point number 29 with #bands= 454 29) Finished k-point number 30 with #bands= 452 24) Finished k-point number 25 with #bands= 454 47) Finished k-point number 48 with #bands= 460 44) Finished k-point number 45 with #bands= 452 43) Finished k-point number 44 with #bands= 452 1) Finished k-point number 2 with #bands= 456 9) Finished k-point number 10 with #bands= 458 8) Finished k-point number 9 with #bands= 456 10) Finished k-point number 11 with #bands= 458 0) Finished k-point number 1 with #bands= 458 14) Finished k-point number 15 with #bands= 458 12) Finished k-point number 13 with #bands= 454 41) Finished k-point number 42 with #bands= 460 7) Finished k-point number 8 with #bands= 456 34) Finished k-point number 35 with #bands= 456 32) Finished k-point number 33 with #bands= 452 26) Finished k-point number 27 with #bands= 454 46) Finished k-point number 47 with #bands= 456 27) Finished k-point number 28 with #bands= 452 25) Finished k-point number 26 with #bands= 452 6) Finished k-point number 7 with #bands= 452 11) Finished k-point number 12 with #bands= 452 13) Finished k-point number 14 with #bands= 452 42) Finished k-point number 43 with #bands= 452 23) Finished k-point number 24 with #bands= 458 22) Finished k-point number 23 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745193444737534 0.745193444737534 0.761008024583237 0.761008024583237 0.760579876489418 0.760579876489418 6.992188244440993E-009 6.992188244440993E-009 -4.240002340389588E-004 0.745193444737614 0.745193444737514 0.761008024583237 0.761008024583237 0.760579876489418 0.760579876489418 6.992484124446092E-009 6.992484124446092E-009 -4.240002340188811E-004 0.745193444737616 0.745193444737514 0.761008024583237 0.761008024583237 0.760579876489418 0.760579876489418 5.166491903856335E-009 5.166491903856335E-009 -4.240002340190480E-004 0.745193444737534 0.745193444737534 0.761008024583237 0.761008024583237 0.760579876489418 0.760579876489418 5.166196875588836E-009 5.166196875588836E-009 -4.240002340391170E-004 0.745191626111163 0.745191626111139 0.761007967993788 0.761007967993788 0.760578892569676 0.760578892569677 -9.366605365383617E-007 -9.366605365383617E-007 -4.247796284597472E-004 0.745191626111130 0.745191626111131 0.761007967993788 0.761007967993788 0.760578892569677 0.760578892569677 -9.366608984591180E-007 -9.366608984591180E-007 -4.247796284495295E-004 0.745191626111132 0.745191626111132 0.761007967993735 0.761007967993735 0.760578892569741 0.760578892569741 9.488192251555450E-007 9.488192251555450E-007 -4.247796286140539E-004 0.745191626111160 0.745191626111141 0.761007967993735 0.761007967993735 0.760578892569741 0.760578892569741 9.488195892674323E-007 9.488195892674323E-007 -4.247796286242587E-004 36) Finished k-point number 37 with #bands= 454 25) Finished k-point number 26 with #bands= 452 37) Finished k-point number 38 with #bands= 454 30) Finished k-point number 31 with #bands= 452 32) Finished k-point number 33 with #bands= 452 33) Finished k-point number 34 with #bands= 456 43) Finished k-point number 44 with #bands= 452 35) Finished k-point number 36 with #bands= 454 31) Finished k-point number 32 with #bands= 452 16) Finished k-point number 17 with #bands= 458 48) Finished k-point number 49 with #bands= 464 3) Finished k-point number 4 with #bands= 456 27) Finished k-point number 28 with #bands= 452 24) Finished k-point number 25 with #bands= 454 34) Finished k-point number 35 with #bands= 456 4) Finished k-point number 5 with #bands= 454 29) Finished k-point number 30 with #bands= 452 47) Finished k-point number 48 with #bands= 460 46) Finished k-point number 47 with #bands= 456 28) Finished k-point number 29 with #bands= 454 5) Finished k-point number 6 with #bands= 454 15) Finished k-point number 16 with #bands= 458 26) Finished k-point number 27 with #bands= 454 2) Finished k-point number 3 with #bands= 458 0) Finished k-point number 1 with #bands= 458 23) Finished k-point number 24 with #bands= 458 8) Finished k-point number 9 with #bands= 456 11) Finished k-point number 12 with #bands= 452 22) Finished k-point number 23 with #bands= 458 13) Finished k-point number 14 with #bands= 452 19) Finished k-point number 20 with #bands= 454 42) Finished k-point number 43 with #bands= 452 38) Finished k-point number 39 with #bands= 454 39) Finished k-point number 40 with #bands= 456 9) Finished k-point number 10 with #bands= 458 10) Finished k-point number 11 with #bands= 458 1) Finished k-point number 2 with #bands= 456 18) Finished k-point number 19 with #bands= 452 14) Finished k-point number 15 with #bands= 458 40) Finished k-point number 41 with #bands= 460 44) Finished k-point number 45 with #bands= 452 41) Finished k-point number 42 with #bands= 460 45) Finished k-point number 46 with #bands= 452 6) Finished k-point number 7 with #bands= 452 12) Finished k-point number 13 with #bands= 454 7) Finished k-point number 8 with #bands= 456 21) Finished k-point number 22 with #bands= 456 17) Finished k-point number 18 with #bands= 458 20) Finished k-point number 21 with #bands= 452 Eimp= -1.39741523889955 -1.39782253439913 -2.20525672177486 -2.20522909562347 -2.14553555673910 -2.14570772979167 9.428372332727295E-009 9.428372338814972E-009 5.850767389488255E-003 -1.39741523889861 -1.39782253439657 -2.20525672177294 -2.20522909562042 -2.14553555670538 -2.14570772975005 9.428708133223293E-009 9.428708140533193E-009 5.850767389165082E-003 -1.39741523889861 -1.39782253439657 -2.20525672177294 -2.20522909562042 -2.14553555670539 -2.14570772975003 1.461589792429648E-008 1.461589791629700E-008 5.850767389164772E-003 -1.39741523889955 -1.39782253439913 -2.20525672177486 -2.20522909562347 -2.14553555673911 -2.14570772979167 1.461556218359095E-008 1.461556219720554E-008 5.850767389488298E-003 -1.39742249855947 -1.39782981363329 -2.20527078651381 -2.20524317766270 -2.14555201276114 -2.14572427057437 -1.275094183439624E-006 -1.275094183439071E-006 5.854368792550758E-003 -1.39742249856049 -1.39782981363580 -2.20527078651577 -2.20524317766574 -2.14555201276819 -2.14572427060315 -1.275094514904821E-006 -1.275094514893133E-006 5.854368792857904E-003 -1.39742249856049 -1.39782981363580 -2.20527078651549 -2.20524317766545 -2.14555201276853 -2.14572427060349 1.299140673561391E-006 1.299140673562656E-006 5.854368792731656E-003 -1.39742249855946 -1.39782981363329 -2.20527078651353 -2.20524317766241 -2.14555201276149 -2.14572427057470 1.299141005107041E-006 1.299141005101704E-006 5.854368792424423E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.383051196075913E-009 9.383051196075913E-009 -5.630370385876890E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.383448251856629E-009 9.383448251856629E-009 -5.630370385610285E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.933088229897253E-009 6.933088229897253E-009 -5.630370385612551E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.932692325768370E-009 6.932692325768370E-009 -5.630370385878938E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.256939159963875E-006 -1.256939159963875E-006 -5.640727188171338E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.256939645639138E-006 -1.256939645639138E-006 -5.640727188035693E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.273255350583539E-006 1.273255350583539E-006 -5.640727190220646E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.273255839201224E-006 1.273255839201224E-006 -5.640727190356150E-004 =====>>> CPU TIME SUMMARY TOTAL : 596.2 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 1) Finished k-point number 2 with #bands= 456 3) Finished k-point number 4 with #bands= 456 18) Finished k-point number 19 with #bands= 452 39) Finished k-point number 40 with #bands= 456 21) Finished k-point number 22 with #bands= 456 5) Finished k-point number 6 with #bands= 454 8) Finished k-point number 9 with #bands= 456 13) Finished k-point number 14 with #bands= 452 7) Finished k-point number 8 with #bands= 456 38) Finished k-point number 39 with #bands= 454 0) Finished k-point number 1 with #bands= 458 9) Finished k-point number 10 with #bands= 458 42) Finished k-point number 43 with #bands= 452 40) Finished k-point number 41 with #bands= 460 2) Finished k-point number 3 with #bands= 458 16) Finished k-point number 17 with #bands= 458 28) Finished k-point number 29 with #bands= 454 29) Finished k-point number 30 with #bands= 452 23) Finished k-point number 24 with #bands= 458 45) Finished k-point number 46 with #bands= 452 4) Finished k-point number 5 with #bands= 454 37) Finished k-point number 38 with #bands= 454 36) Finished k-point number 37 with #bands= 454 30) Finished k-point number 31 with #bands= 452 33) Finished k-point number 34 with #bands= 456 35) Finished k-point number 36 with #bands= 454 48) Finished k-point number 49 with #bands= 464 34) Finished k-point number 35 with #bands= 456 12) Finished k-point number 13 with #bands= 454 41) Finished k-point number 42 with #bands= 460 47) Finished k-point number 48 with #bands= 460 25) Finished k-point number 26 with #bands= 452 14) Finished k-point number 15 with #bands= 458 10) Finished k-point number 11 with #bands= 458 44) Finished k-point number 45 with #bands= 452 27) Finished k-point number 28 with #bands= 452 32) Finished k-point number 33 with #bands= 452 11) Finished k-point number 12 with #bands= 452 17) Finished k-point number 18 with #bands= 458 26) Finished k-point number 27 with #bands= 454 19) Finished k-point number 20 with #bands= 454 6) Finished k-point number 7 with #bands= 452 24) Finished k-point number 25 with #bands= 454 20) Finished k-point number 21 with #bands= 452 31) Finished k-point number 32 with #bands= 452 15) Finished k-point number 16 with #bands= 458 43) Finished k-point number 44 with #bands= 452 22) Finished k-point number 23 with #bands= 458 46) Finished k-point number 47 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745189615858630 0.745189615858630 0.761001723027268 0.761001723027268 0.760574690470135 0.760574690470135 5.838933752643429E-009 5.838933752643429E-009 -4.237430239836900E-004 0.745189615858160 0.745189615858621 0.761001723027268 0.761001723027268 0.760574690470135 0.760574690470135 5.839521268971198E-009 5.839521268971198E-009 -4.237430239698545E-004 0.745189615858154 0.745189615858622 0.761001723027267 0.761001723027267 0.760574690470135 0.760574690470135 6.319930805267344E-009 6.319930805267344E-009 -4.237430239697851E-004 0.745189615858630 0.745189615858630 0.761001723027267 0.761001723027268 0.760574690470135 0.760574690470135 6.319340228910469E-009 6.319340228910469E-009 -4.237430239837539E-004 0.745187051978037 0.745187051976119 0.761001752075398 0.761001752075398 0.760573254232102 0.760573254232102 -1.099701573685819E-006 -1.099701573685819E-006 -4.225016754803637E-004 0.745187051976087 0.745187051976087 0.761001752075398 0.761001752075398 0.760573254232102 0.760573254232102 -1.099701012054880E-006 -1.099701012054880E-006 -4.225016755017559E-004 0.745187051976089 0.745187051976089 0.761001752075335 0.761001752075335 0.760573254232177 0.760573254232177 1.111859634641378E-006 1.111859634641378E-006 -4.225016756948663E-004 0.745187051978041 0.745187051976121 0.761001752075335 0.761001752075335 0.760573254232177 0.760573254232177 1.111859072344338E-006 1.111859072344338E-006 -4.225016756733091E-004 32) Finished k-point number 33 with #bands= 452 2) Finished k-point number 3 with #bands= 458 39) Finished k-point number 40 with #bands= 456 22) Finished k-point number 23 with #bands= 458 1) Finished k-point number 2 with #bands= 456 36) Finished k-point number 37 with #bands= 454 37) Finished k-point number 38 with #bands= 454 34) Finished k-point number 35 with #bands= 456 31) Finished k-point number 32 with #bands= 452 46) Finished k-point number 47 with #bands= 456 48) Finished k-point number 49 with #bands= 464 3) Finished k-point number 4 with #bands= 456 35) Finished k-point number 36 with #bands= 454 30) Finished k-point number 31 with #bands= 452 33) Finished k-point number 34 with #bands= 456 10) Finished k-point number 11 with #bands= 458 47) Finished k-point number 48 with #bands= 460 24) Finished k-point number 25 with #bands= 454 28) Finished k-point number 29 with #bands= 454 29) Finished k-point number 30 with #bands= 452 20) Finished k-point number 21 with #bands= 452 38) Finished k-point number 39 with #bands= 454 0) Finished k-point number 1 with #bands= 458 42) Finished k-point number 43 with #bands= 452 27) Finished k-point number 28 with #bands= 452 25) Finished k-point number 26 with #bands= 452 13) Finished k-point number 14 with #bands= 452 23) Finished k-point number 24 with #bands= 458 18) Finished k-point number 19 with #bands= 452 4) Finished k-point number 5 with #bands= 454 7) Finished k-point number 8 with #bands= 456 45) Finished k-point number 46 with #bands= 452 26) Finished k-point number 27 with #bands= 454 15) Finished k-point number 16 with #bands= 458 11) Finished k-point number 12 with #bands= 452 5) Finished k-point number 6 with #bands= 454 12) Finished k-point number 13 with #bands= 454 40) Finished k-point number 41 with #bands= 460 16) Finished k-point number 17 with #bands= 458 14) Finished k-point number 15 with #bands= 458 17) Finished k-point number 18 with #bands= 458 41) Finished k-point number 42 with #bands= 460 19) Finished k-point number 20 with #bands= 454 6) Finished k-point number 7 with #bands= 452 44) Finished k-point number 45 with #bands= 452 43) Finished k-point number 44 with #bands= 452 9) Finished k-point number 10 with #bands= 458 8) Finished k-point number 9 with #bands= 456 21) Finished k-point number 22 with #bands= 456 Eimp= -1.39704819571748 -1.39745514150284 -2.20487725723540 -2.20484940939028 -2.14515190950253 -2.14532395881720 1.420447160495824E-008 1.420447160590539E-008 5.846937096539921E-003 -1.39704819571551 -1.39745514150036 -2.20487725723347 -2.20484940938723 -2.14515190947122 -2.14532395877482 1.420478640965843E-008 1.420478641036295E-008 5.846937096222081E-003 -1.39704819571550 -1.39745514150036 -2.20487725723347 -2.20484940938723 -2.14515190947122 -2.14532395877481 9.833751847374985E-009 9.833751862165711E-009 5.846937096221405E-003 -1.39704819571748 -1.39745514150284 -2.20487725723540 -2.20484940939028 -2.14515190950253 -2.14532395881720 9.833436995202317E-009 9.833436991735471E-009 5.846937096539572E-003 -1.39706411634614 -1.39747108297421 -2.20490731472026 -2.20487946479627 -2.14518277206259 -2.14535477358774 -1.498095487940071E-006 -1.498095487946315E-006 5.848805933769983E-003 -1.39706411634359 -1.39747108297664 -2.20490731472219 -2.20487946479932 -2.14518277206591 -2.14535477361739 -1.498095805979950E-006 -1.498095805962845E-006 5.848805934093860E-003 -1.39706411634359 -1.39747108297664 -2.20490731472186 -2.20487946479898 -2.14518277206630 -2.14535477361779 1.522135888480773E-006 1.522135888486046E-006 5.848805933944744E-003 -1.39706411634614 -1.39747108297421 -2.20490731471993 -2.20487946479594 -2.14518277206299 -2.14535477358814 1.522136206457854E-006 1.522136206456475E-006 5.848805933620711E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.835500698336951E-009 7.835500698336951E-009 -5.626992603611237E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.836289104503397E-009 7.836289104503397E-009 -5.626992603427539E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.480970031958565E-009 8.480970031958565E-009 -5.626992603426594E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.480177514825537E-009 8.480177514825537E-009 -5.626992603612070E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.475738971539489E-006 -1.475738971539489E-006 -5.610517962196203E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.475738217861992E-006 -1.475738217861992E-006 -5.610517962480421E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.492054420027783E-006 1.492054420027783E-006 -5.610517965045023E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.492053665449840E-006 1.492053665449840E-006 -5.610517964758634E-004 =====>>> CPU TIME SUMMARY TOTAL : 601.6 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 39) Finished k-point number 40 with #bands= 456 31) Finished k-point number 32 with #bands= 452 14) Finished k-point number 15 with #bands= 458 32) Finished k-point number 33 with #bands= 452 33) Finished k-point number 34 with #bands= 456 0) Finished k-point number 1 with #bands= 458 30) Finished k-point number 31 with #bands= 452 37) Finished k-point number 38 with #bands= 454 24) Finished k-point number 25 with #bands= 454 1) Finished k-point number 2 with #bands= 456 5) Finished k-point number 6 with #bands= 454 2) Finished k-point number 3 with #bands= 458 3) Finished k-point number 4 with #bands= 456 38) Finished k-point number 39 with #bands= 454 26) Finished k-point number 27 with #bands= 454 29) Finished k-point number 30 with #bands= 452 4) Finished k-point number 5 with #bands= 454 36) Finished k-point number 37 with #bands= 454 35) Finished k-point number 36 with #bands= 454 48) Finished k-point number 49 with #bands= 464 34) Finished k-point number 35 with #bands= 456 12) Finished k-point number 13 with #bands= 454 28) Finished k-point number 29 with #bands= 454 25) Finished k-point number 26 with #bands= 452 46) Finished k-point number 47 with #bands= 456 27) Finished k-point number 28 with #bands= 452 21) Finished k-point number 22 with #bands= 456 23) Finished k-point number 24 with #bands= 458 20) Finished k-point number 21 with #bands= 452 19) Finished k-point number 20 with #bands= 454 11) Finished k-point number 12 with #bands= 452 15) Finished k-point number 16 with #bands= 458 17) Finished k-point number 18 with #bands= 458 13) Finished k-point number 14 with #bands= 452 22) Finished k-point number 23 with #bands= 458 18) Finished k-point number 19 with #bands= 452 47) Finished k-point number 48 with #bands= 460 8) Finished k-point number 9 with #bands= 456 6) Finished k-point number 7 with #bands= 452 9) Finished k-point number 10 with #bands= 458 16) Finished k-point number 17 with #bands= 458 45) Finished k-point number 46 with #bands= 452 42) Finished k-point number 43 with #bands= 452 41) Finished k-point number 42 with #bands= 460 43) Finished k-point number 44 with #bands= 452 40) Finished k-point number 41 with #bands= 460 44) Finished k-point number 45 with #bands= 452 10) Finished k-point number 11 with #bands= 458 7) Finished k-point number 8 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745191477363117 0.745191477363117 0.761010210716933 0.761010210716933 0.760580204276560 0.760580204276560 6.333481119424228E-009 6.333481119424228E-009 -4.244862758897758E-004 0.745191477362187 0.745191477363118 0.761010210716933 0.761010210716933 0.760580204276560 0.760580204276560 6.334312982179409E-009 6.334312982179409E-009 -4.244862758786024E-004 0.745191477362187 0.745191477363118 0.761010210716933 0.761010210716933 0.760580204276560 0.760580204276560 5.825682912156515E-009 5.825682912156515E-009 -4.244862758784382E-004 0.745191477363117 0.745191477363117 0.761010210716933 0.761010210716933 0.760580204276560 0.760580204276560 5.824851160379807E-009 5.824851160379807E-009 -4.244862758896832E-004 0.745192268522368 0.745192268521639 0.761009633873321 0.761009633873321 0.760580303330472 0.760580303330472 -2.581702310252316E-007 -2.581702310252316E-007 -4.232386718748463E-004 0.745192268521596 0.745192268521596 0.761009633873321 0.761009633873321 0.760580303330472 0.760580303330472 -2.581702753175126E-007 -2.581702753175126E-007 -4.232386718700543E-004 0.745192268521596 0.745192268521596 0.761009633873306 0.761009633873306 0.760580303330491 0.760580303330490 2.703289236680702E-007 2.703289236680702E-007 -4.232386719160069E-004 0.745192268522369 0.745192268521639 0.761009633873306 0.761009633873306 0.760580303330490 0.760580303330491 2.703289672944821E-007 2.703289672944821E-007 -4.232386719208056E-004 32) Finished k-point number 33 with #bands= 452 35) Finished k-point number 36 with #bands= 454 33) Finished k-point number 34 with #bands= 456 36) Finished k-point number 37 with #bands= 454 37) Finished k-point number 38 with #bands= 454 48) Finished k-point number 49 with #bands= 464 25) Finished k-point number 26 with #bands= 452 30) Finished k-point number 31 with #bands= 452 39) Finished k-point number 40 with #bands= 456 5) Finished k-point number 6 with #bands= 454 2) Finished k-point number 3 with #bands= 458 29) Finished k-point number 30 with #bands= 452 4) Finished k-point number 5 with #bands= 454 38) Finished k-point number 39 with #bands= 454 31) Finished k-point number 32 with #bands= 452 22) Finished k-point number 23 with #bands= 458 3) Finished k-point number 4 with #bands= 456 1) Finished k-point number 2 with #bands= 456 34) Finished k-point number 35 with #bands= 456 26) Finished k-point number 27 with #bands= 454 0) Finished k-point number 1 with #bands= 458 24) Finished k-point number 25 with #bands= 454 42) Finished k-point number 43 with #bands= 452 47) Finished k-point number 48 with #bands= 460 46) Finished k-point number 47 with #bands= 456 11) Finished k-point number 12 with #bands= 452 12) Finished k-point number 13 with #bands= 454 20) Finished k-point number 21 with #bands= 452 28) Finished k-point number 29 with #bands= 454 13) Finished k-point number 14 with #bands= 452 23) Finished k-point number 24 with #bands= 458 19) Finished k-point number 20 with #bands= 454 27) Finished k-point number 28 with #bands= 452 21) Finished k-point number 22 with #bands= 456 7) Finished k-point number 8 with #bands= 456 44) Finished k-point number 45 with #bands= 452 18) Finished k-point number 19 with #bands= 452 40) Finished k-point number 41 with #bands= 460 15) Finished k-point number 16 with #bands= 458 9) Finished k-point number 10 with #bands= 458 10) Finished k-point number 11 with #bands= 458 16) Finished k-point number 17 with #bands= 458 14) Finished k-point number 15 with #bands= 458 45) Finished k-point number 46 with #bands= 452 6) Finished k-point number 7 with #bands= 452 17) Finished k-point number 18 with #bands= 458 8) Finished k-point number 9 with #bands= 456 43) Finished k-point number 44 with #bands= 452 41) Finished k-point number 42 with #bands= 460 Eimp= -1.39733700772624 -1.39774406384797 -2.20520203023186 -2.20517425300815 -2.14545945676992 -2.14563167731743 2.622338165030401E-009 2.622338158220969E-009 5.849618271081904E-003 -1.39733700772340 -1.39774406384547 -2.20520203022991 -2.20517425300510 -2.14545945674051 -2.14563167726483 2.622668435767044E-009 2.622668447709444E-009 5.849618270754801E-003 -1.39733700772340 -1.39774406384547 -2.20520203022991 -2.20517425300509 -2.14545945674052 -2.14563167726483 2.141977021458650E-008 2.141977022890375E-008 5.849618270754336E-003 -1.39733700772624 -1.39774406384797 -2.20520203023187 -2.20517425300815 -2.14545945676992 -2.14563167731743 2.141943992271356E-008 2.141943992537625E-008 5.849618271081282E-003 -1.39731910112895 -1.39772614729722 -2.20518564123402 -2.20515780447555 -2.14544740341151 -2.14561961290617 -3.410992465119939E-007 -3.410992465049028E-007 5.850468040214614E-003 -1.39731910112859 -1.39772614729966 -2.20518564123600 -2.20515780447860 -2.14544740340583 -2.14561961292983 -3.410995737481747E-007 -3.410995737375358E-007 5.850468040551489E-003 -1.39731910112860 -1.39772614729966 -2.20518564123592 -2.20515780447852 -2.14544740340592 -2.14561961292993 3.651449921970652E-007 3.651449921980122E-007 5.850468040516397E-003 -1.39731910112895 -1.39772614729722 -2.20518564123395 -2.20515780447547 -2.14544740341160 -2.14561961290626 3.651453194748587E-007 3.651453194720005E-007 5.850468040179625E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.499132521466826E-009 8.499132521466826E-009 -5.636823961791694E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.500248826903113E-009 8.500248826903113E-009 -5.636823961643292E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.817699329262370E-009 7.817699329262370E-009 -5.636823961641084E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.816583168771049E-009 7.816583168771049E-009 -5.636823961790457E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -3.464478121001624E-007 -3.464478121001624E-007 -5.620255966872211E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -3.464478715432011E-007 -3.464478715432011E-007 -5.620255966808808E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.627639940533543E-007 3.627639940533543E-007 -5.620255967419071E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.627640525986967E-007 3.627640525986967E-007 -5.620255967482627E-004 =====>>> CPU TIME SUMMARY TOTAL : 609.8 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 27) Finished k-point number 28 with #bands= 452 48) Finished k-point number 49 with #bands= 464 6) Finished k-point number 7 with #bands= 452 43) Finished k-point number 44 with #bands= 452 19) Finished k-point number 20 with #bands= 454 39) Finished k-point number 40 with #bands= 456 5) Finished k-point number 6 with #bands= 454 38) Finished k-point number 39 with #bands= 454 18) Finished k-point number 19 with #bands= 452 17) Finished k-point number 18 with #bands= 458 16) Finished k-point number 17 with #bands= 458 45) Finished k-point number 46 with #bands= 452 42) Finished k-point number 43 with #bands= 452 40) Finished k-point number 41 with #bands= 460 8) Finished k-point number 9 with #bands= 456 21) Finished k-point number 22 with #bands= 456 46) Finished k-point number 47 with #bands= 456 35) Finished k-point number 36 with #bands= 454 36) Finished k-point number 37 with #bands= 454 2) Finished k-point number 3 with #bands= 458 30) Finished k-point number 31 with #bands= 452 11) Finished k-point number 12 with #bands= 452 14) Finished k-point number 15 with #bands= 458 25) Finished k-point number 26 with #bands= 452 32) Finished k-point number 33 with #bands= 452 23) Finished k-point number 24 with #bands= 458 10) Finished k-point number 11 with #bands= 458 37) Finished k-point number 38 with #bands= 454 9) Finished k-point number 10 with #bands= 458 22) Finished k-point number 23 with #bands= 458 44) Finished k-point number 45 with #bands= 452 12) Finished k-point number 13 with #bands= 454 7) Finished k-point number 8 with #bands= 456 1) Finished k-point number 2 with #bands= 456 29) Finished k-point number 30 with #bands= 452 4) Finished k-point number 5 with #bands= 454 34) Finished k-point number 35 with #bands= 456 47) Finished k-point number 48 with #bands= 460 24) Finished k-point number 25 with #bands= 454 41) Finished k-point number 42 with #bands= 460 3) Finished k-point number 4 with #bands= 456 13) Finished k-point number 14 with #bands= 452 26) Finished k-point number 27 with #bands= 454 15) Finished k-point number 16 with #bands= 458 20) Finished k-point number 21 with #bands= 452 28) Finished k-point number 29 with #bands= 454 0) Finished k-point number 1 with #bands= 458 31) Finished k-point number 32 with #bands= 452 33) Finished k-point number 34 with #bands= 456 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745195867324375 0.745195867324375 0.761007601197623 0.761007601197623 0.760581082305238 0.760581082305238 4.028221417591828E-009 4.028221417591828E-009 -4.226710941346032E-004 0.745195867326251 0.745195867324398 0.761007601197623 0.761007601197623 0.760581082305238 0.760581082305238 4.027683467689284E-009 4.027683467689284E-009 -4.226710940924655E-004 0.745195867326253 0.745195867324398 0.761007601197623 0.761007601197623 0.760581082305238 0.760581082305238 8.129985114848819E-009 8.129985114848819E-009 -4.226710940926274E-004 0.745195867324375 0.745195867324375 0.761007601197623 0.761007601197623 0.760581082305238 0.760581082305238 8.130524156985462E-009 8.130524156985462E-009 -4.226710941347331E-004 0.745195747253509 0.745195747252623 0.761008290085682 0.761008290085682 0.760581352116926 0.760581352116926 -1.631616253930776E-007 -1.631616253930776E-007 -4.228323798192757E-004 0.745195747252585 0.745195747252586 0.761008290085682 0.761008290085682 0.760581352116926 0.760581352116926 -1.631615849370853E-007 -1.631615849370853E-007 -4.228323798141416E-004 0.745195747252586 0.745195747252586 0.761008290085672 0.761008290085672 0.760581352116937 0.760581352116937 1.753202756499551E-007 1.753202756499551E-007 -4.228323798433401E-004 0.745195747253502 0.745195747252624 0.761008290085672 0.761008290085672 0.760581352116937 0.760581352116937 1.753202389062938E-007 1.753202389062938E-007 -4.228323798484508E-004 33) Finished k-point number 34 with #bands= 456 5) Finished k-point number 6 with #bands= 454 31) Finished k-point number 32 with #bands= 452 4) Finished k-point number 5 with #bands= 454 32) Finished k-point number 33 with #bands= 452 48) Finished k-point number 49 with #bands= 464 35) Finished k-point number 36 with #bands= 454 34) Finished k-point number 35 with #bands= 456 30) Finished k-point number 31 with #bands= 452 39) Finished k-point number 40 with #bands= 456 2) Finished k-point number 3 with #bands= 458 25) Finished k-point number 26 with #bands= 452 36) Finished k-point number 37 with #bands= 454 37) Finished k-point number 38 with #bands= 454 12) Finished k-point number 13 with #bands= 454 38) Finished k-point number 39 with #bands= 454 29) Finished k-point number 30 with #bands= 452 43) Finished k-point number 44 with #bands= 452 1) Finished k-point number 2 with #bands= 456 22) Finished k-point number 23 with #bands= 458 46) Finished k-point number 47 with #bands= 456 0) Finished k-point number 1 with #bands= 458 28) Finished k-point number 29 with #bands= 454 24) Finished k-point number 25 with #bands= 454 3) Finished k-point number 4 with #bands= 456 26) Finished k-point number 27 with #bands= 454 23) Finished k-point number 24 with #bands= 458 10) Finished k-point number 11 with #bands= 458 9) Finished k-point number 10 with #bands= 458 27) Finished k-point number 28 with #bands= 452 18) Finished k-point number 19 with #bands= 452 19) Finished k-point number 20 with #bands= 454 47) Finished k-point number 48 with #bands= 460 8) Finished k-point number 9 with #bands= 456 40) Finished k-point number 41 with #bands= 460 11) Finished k-point number 12 with #bands= 452 45) Finished k-point number 46 with #bands= 452 20) Finished k-point number 21 with #bands= 452 41) Finished k-point number 42 with #bands= 460 44) Finished k-point number 45 with #bands= 452 42) Finished k-point number 43 with #bands= 452 21) Finished k-point number 22 with #bands= 456 16) Finished k-point number 17 with #bands= 458 7) Finished k-point number 8 with #bands= 456 13) Finished k-point number 14 with #bands= 452 6) Finished k-point number 7 with #bands= 452 14) Finished k-point number 15 with #bands= 458 15) Finished k-point number 16 with #bands= 458 17) Finished k-point number 18 with #bands= 458 Eimp= -1.39729724800061 -1.39770390908703 -2.20514239095055 -2.20511486132870 -2.14541916898983 -2.14559117442584 1.613518990584386E-008 1.613518991368767E-008 5.854614400305089E-003 -1.39729724800303 -1.39770390908456 -2.20514239094862 -2.20511486132566 -2.14541916895644 -2.14559117437172 1.613553018330029E-008 1.613553018213557E-008 5.854614399990062E-003 -1.39729724800303 -1.39770390908456 -2.20514239094862 -2.20511486132566 -2.14541916895644 -2.14559117437172 7.905880396859976E-009 7.905880384894448E-009 5.854614399990360E-003 -1.39729724800061 -1.39770390908703 -2.20514239095054 -2.20511486132870 -2.14541916898983 -2.14559117442584 7.905540122023143E-009 7.905540127882568E-009 5.854614400305434E-003 -1.39726956803345 -1.39767621925583 -2.20512270794980 -2.20509512290434 -2.14540182627982 -2.14557378550486 -2.083069580046526E-007 -2.083069580163212E-007 5.857414584906995E-003 -1.39726956803281 -1.39767621925824 -2.20512270795176 -2.20509512290739 -2.14540182627291 -2.14557378551898 -2.083072778589873E-007 -2.083072778757393E-007 5.857414585229577E-003 -1.39726956803281 -1.39767621925824 -2.20512270795171 -2.20509512290733 -2.14540182627297 -2.14557378551904 2.323529507693639E-007 2.323529507685110E-007 5.857414585206911E-003 -1.39726956803344 -1.39767621925583 -2.20512270794975 -2.20509512290430 -2.14540182627988 -2.14557378550491 2.323532707154169E-007 2.323532707163788E-007 5.857414584884757E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.405587431613982E-009 5.405587431613982E-009 -5.612712951643897E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.404865546875927E-009 5.404865546875927E-009 -5.612712951084269E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.090986339214553E-008 1.090986339214553E-008 -5.612712951086382E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.091058674755683E-008 1.091058674755683E-008 -5.612712951645642E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.189513641189096E-007 -2.189513641189096E-007 -5.614852599463044E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.189513098249267E-007 -2.189513098249267E-007 -5.614852599395003E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.352674130277014E-007 2.352674130277014E-007 -5.614852599782732E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.352673637130035E-007 2.352673637130035E-007 -5.614852599850448E-004 =====>>> CPU TIME SUMMARY TOTAL : 626.7 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 5) Finished k-point number 6 with #bands= 454 33) Finished k-point number 34 with #bands= 456 16) Finished k-point number 17 with #bands= 458 39) Finished k-point number 40 with #bands= 456 3) Finished k-point number 4 with #bands= 456 6) Finished k-point number 7 with #bands= 452 32) Finished k-point number 33 with #bands= 452 35) Finished k-point number 36 with #bands= 454 36) Finished k-point number 37 with #bands= 454 20) Finished k-point number 21 with #bands= 452 30) Finished k-point number 31 with #bands= 452 38) Finished k-point number 39 with #bands= 454 4) Finished k-point number 5 with #bands= 454 0) Finished k-point number 1 with #bands= 458 15) Finished k-point number 16 with #bands= 458 43) Finished k-point number 44 with #bands= 452 48) Finished k-point number 49 with #bands= 464 19) Finished k-point number 20 with #bands= 454 17) Finished k-point number 18 with #bands= 458 34) Finished k-point number 35 with #bands= 456 2) Finished k-point number 3 with #bands= 458 1) Finished k-point number 2 with #bands= 456 14) Finished k-point number 15 with #bands= 458 40) Finished k-point number 41 with #bands= 460 9) Finished k-point number 10 with #bands= 458 45) Finished k-point number 46 with #bands= 452 18) Finished k-point number 19 with #bands= 452 44) Finished k-point number 45 with #bands= 452 31) Finished k-point number 32 with #bands= 452 37) Finished k-point number 38 with #bands= 454 21) Finished k-point number 22 with #bands= 456 11) Finished k-point number 12 with #bands= 452 7) Finished k-point number 8 with #bands= 456 8) Finished k-point number 9 with #bands= 456 10) Finished k-point number 11 with #bands= 458 41) Finished k-point number 42 with #bands= 460 27) Finished k-point number 28 with #bands= 452 29) Finished k-point number 30 with #bands= 452 46) Finished k-point number 47 with #bands= 456 23) Finished k-point number 24 with #bands= 458 28) Finished k-point number 29 with #bands= 454 26) Finished k-point number 27 with #bands= 454 12) Finished k-point number 13 with #bands= 454 22) Finished k-point number 23 with #bands= 458 42) Finished k-point number 43 with #bands= 452 25) Finished k-point number 26 with #bands= 452 24) Finished k-point number 25 with #bands= 454 13) Finished k-point number 14 with #bands= 452 47) Finished k-point number 48 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745205984143723 0.745205984143723 0.761022084023884 0.761022084023884 0.760592868662094 0.760592868662094 2.884535198120444E-009 2.884535198120444E-009 -4.233249636838187E-004 0.745205984143079 0.745205984143701 0.761022084023884 0.761022084023884 0.760592868662094 0.760592868662094 2.885189499340283E-009 2.885189499340283E-009 -4.233249636501141E-004 0.745205984143071 0.745205984143702 0.761022084023884 0.761022084023884 0.760592868662094 0.760592868662094 9.274775346558517E-009 9.274775346558517E-009 -4.233249636498997E-004 0.745205984143723 0.745205984143723 0.761022084023884 0.761022084023884 0.760592868662094 0.760592868662094 9.274116619627148E-009 9.274116619627148E-009 -4.233249636837043E-004 0.745206428760417 0.745206428759686 0.761019851429034 0.761019851429034 0.760592083055866 0.760592083055866 -9.433364173776529E-007 -9.433364173776529E-007 -4.239172863020983E-004 0.745206428759654 0.745206428759654 0.761019851429034 0.761019851429034 0.760592083055866 0.760592083055866 -9.433364495753335E-007 -9.433364495753335E-007 -4.239172863185650E-004 0.745206428759655 0.745206428759655 0.761019851428980 0.761019851428980 0.760592083055932 0.760592083055932 9.554951939845971E-007 9.554951939845971E-007 -4.239172864846271E-004 0.745206428760424 0.745206428759687 0.761019851428980 0.761019851428980 0.760592083055932 0.760592083055932 9.554952230686788E-007 9.554952230686788E-007 -4.239172864681872E-004 5) Finished k-point number 6 with #bands= 454 30) Finished k-point number 31 with #bands= 452 37) Finished k-point number 38 with #bands= 454 1) Finished k-point number 2 with #bands= 456 36) Finished k-point number 37 with #bands= 454 35) Finished k-point number 36 with #bands= 454 26) Finished k-point number 27 with #bands= 454 39) Finished k-point number 40 with #bands= 456 31) Finished k-point number 32 with #bands= 452 34) Finished k-point number 35 with #bands= 456 25) Finished k-point number 26 with #bands= 452 33) Finished k-point number 34 with #bands= 456 17) Finished k-point number 18 with #bands= 458 28) Finished k-point number 29 with #bands= 454 29) Finished k-point number 30 with #bands= 452 27) Finished k-point number 28 with #bands= 452 48) Finished k-point number 49 with #bands= 464 24) Finished k-point number 25 with #bands= 454 32) Finished k-point number 33 with #bands= 452 0) Finished k-point number 1 with #bands= 458 46) Finished k-point number 47 with #bands= 456 3) Finished k-point number 4 with #bands= 456 21) Finished k-point number 22 with #bands= 456 4) Finished k-point number 5 with #bands= 454 43) Finished k-point number 44 with #bands= 452 20) Finished k-point number 21 with #bands= 452 8) Finished k-point number 9 with #bands= 456 38) Finished k-point number 39 with #bands= 454 2) Finished k-point number 3 with #bands= 458 47) Finished k-point number 48 with #bands= 460 45) Finished k-point number 46 with #bands= 452 22) Finished k-point number 23 with #bands= 458 44) Finished k-point number 45 with #bands= 452 12) Finished k-point number 13 with #bands= 454 42) Finished k-point number 43 with #bands= 452 40) Finished k-point number 41 with #bands= 460 15) Finished k-point number 16 with #bands= 458 23) Finished k-point number 24 with #bands= 458 9) Finished k-point number 10 with #bands= 458 19) Finished k-point number 20 with #bands= 454 41) Finished k-point number 42 with #bands= 460 13) Finished k-point number 14 with #bands= 452 11) Finished k-point number 12 with #bands= 452 6) Finished k-point number 7 with #bands= 452 16) Finished k-point number 17 with #bands= 458 14) Finished k-point number 15 with #bands= 458 10) Finished k-point number 11 with #bands= 458 7) Finished k-point number 8 with #bands= 456 18) Finished k-point number 19 with #bands= 452 Eimp= -1.39815558110016 -1.39856266790148 -2.20607485358344 -2.20604711017562 -2.14628834136268 -2.14646050078198 7.717950845024919E-009 7.717950859042239E-009 5.831035803629826E-003 -1.39815558109787 -1.39856266789895 -2.20607485358145 -2.20604711017260 -2.14628834132832 -2.14646050072990 7.718270187024532E-009 7.718270205058909E-009 5.831035803312557E-003 -1.39815558109786 -1.39856266789895 -2.20607485358145 -2.20604711017260 -2.14628834132832 -2.14646050072992 1.633749236759325E-008 1.633749236492646E-008 5.831035803312558E-003 -1.39815558110015 -1.39856266790148 -2.20607485358343 -2.20604711017562 -2.14628834136268 -2.14646050078197 1.633717296531128E-008 1.633717297024591E-008 5.831035803629516E-003 -1.39815972620257 -1.39856686186129 -2.20607411683355 -2.20604641045179 -2.14629556138415 -2.14646776628459 -1.281316655080642E-006 -1.281316655069937E-006 5.832763584024431E-003 -1.39815972620222 -1.39856686186370 -2.20607411683555 -2.20604641045482 -2.14629556138289 -2.14646776630792 -1.281316973736792E-006 -1.281316973733918E-006 5.832763584353822E-003 -1.39815972620222 -1.39856686186370 -2.20607411683526 -2.20604641045453 -2.14629556138323 -2.14646776630826 1.305376201539661E-006 1.305376201543237E-006 5.832763584225874E-003 -1.39815972620258 -1.39856686186129 -2.20607411683327 -2.20604641045150 -2.14629556138450 -2.14646776628493 1.305376520182001E-006 1.305376520180881E-006 5.832763583896854E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.870789098514429E-009 3.870789098514429E-009 -5.621304136213133E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 3.871667110063948E-009 3.871667110063948E-009 -5.621304135765631E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.244592172278676E-008 1.244592172278676E-008 -5.621304135762798E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.244503777454716E-008 1.244503777454716E-008 -5.621304136211581E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.265872623974517E-006 -1.265872623974517E-006 -5.629176126830310E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.265872667182689E-006 -1.265872667182689E-006 -5.629176127049108E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.282188608562385E-006 1.282188608562385E-006 -5.629176129254431E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.282188647597453E-006 1.282188647597453E-006 -5.629176129036017E-004 =====>>> CPU TIME SUMMARY TOTAL : 608.4 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 21) Finished k-point number 22 with #bands= 456 24) Finished k-point number 25 with #bands= 454 0) Finished k-point number 1 with #bands= 458 11) Finished k-point number 12 with #bands= 452 3) Finished k-point number 4 with #bands= 456 39) Finished k-point number 40 with #bands= 456 5) Finished k-point number 6 with #bands= 454 1) Finished k-point number 2 with #bands= 456 12) Finished k-point number 13 with #bands= 454 38) Finished k-point number 39 with #bands= 454 43) Finished k-point number 44 with #bands= 452 25) Finished k-point number 26 with #bands= 452 36) Finished k-point number 37 with #bands= 454 31) Finished k-point number 32 with #bands= 452 6) Finished k-point number 7 with #bands= 452 37) Finished k-point number 38 with #bands= 454 42) Finished k-point number 43 with #bands= 452 16) Finished k-point number 17 with #bands= 458 10) Finished k-point number 11 with #bands= 458 32) Finished k-point number 33 with #bands= 452 23) Finished k-point number 24 with #bands= 458 9) Finished k-point number 10 with #bands= 458 14) Finished k-point number 15 with #bands= 458 22) Finished k-point number 23 with #bands= 458 2) Finished k-point number 3 with #bands= 458 8) Finished k-point number 9 with #bands= 456 4) Finished k-point number 5 with #bands= 454 17) Finished k-point number 18 with #bands= 458 46) Finished k-point number 47 with #bands= 456 44) Finished k-point number 45 with #bands= 452 33) Finished k-point number 34 with #bands= 456 45) Finished k-point number 46 with #bands= 452 19) Finished k-point number 20 with #bands= 454 20) Finished k-point number 21 with #bands= 452 18) Finished k-point number 19 with #bands= 452 27) Finished k-point number 28 with #bands= 452 15) Finished k-point number 16 with #bands= 458 13) Finished k-point number 14 with #bands= 452 41) Finished k-point number 42 with #bands= 460 48) Finished k-point number 49 with #bands= 464 26) Finished k-point number 27 with #bands= 454 47) Finished k-point number 48 with #bands= 460 29) Finished k-point number 30 with #bands= 452 35) Finished k-point number 36 with #bands= 454 7) Finished k-point number 8 with #bands= 456 40) Finished k-point number 41 with #bands= 460 28) Finished k-point number 29 with #bands= 454 34) Finished k-point number 35 with #bands= 456 30) Finished k-point number 31 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745178044285945 0.745178044285945 0.760995218802116 0.760995218802117 0.760566617948476 0.760566617948476 1.594017036756028E-008 1.594017036756028E-008 -4.245285196633310E-004 0.745178044285823 0.745178044285929 0.760995218802117 0.760995218802116 0.760566617948476 0.760566617948476 1.594057244709649E-008 1.594057244709649E-008 -4.245285196508135E-004 0.745178044285811 0.745178044285930 0.760995218802118 0.760995218802118 0.760566617948474 0.760566617948474 -3.781639838754891E-009 -3.781639838754891E-009 -4.245285196498199E-004 0.745178044285945 0.745178044285945 0.760995218802118 0.760995218802118 0.760566617948474 0.760566617948474 -3.782049133852991E-009 -3.782049133852991E-009 -4.245285196625575E-004 0.745178295533329 0.745178295532338 0.760995359019179 0.760995359019179 0.760566851377779 0.760566851377779 -1.442417281648092E-007 -1.442417281648092E-007 -4.245043974413232E-004 0.745178295532282 0.745178295532282 0.760995359019179 0.760995359019179 0.760566851377779 0.760566851377779 -1.442416536138006E-007 -1.442416536138006E-007 -4.245043974259796E-004 0.745178295532282 0.745178295532282 0.760995359019170 0.760995359019170 0.760566851377790 0.760566851377790 1.563999726818645E-007 1.563999726818645E-007 -4.245043974522536E-004 0.745178295533337 0.745178295532337 0.760995359019170 0.760995359019170 0.760566851377790 0.760566851377790 1.563998940236970E-007 1.563998940236970E-007 -4.245043974676688E-004 33) Finished k-point number 34 with #bands= 456 30) Finished k-point number 31 with #bands= 452 23) Finished k-point number 24 with #bands= 458 36) Finished k-point number 37 with #bands= 454 3) Finished k-point number 4 with #bands= 456 34) Finished k-point number 35 with #bands= 456 18) Finished k-point number 19 with #bands= 452 8) Finished k-point number 9 with #bands= 456 32) Finished k-point number 33 with #bands= 452 35) Finished k-point number 36 with #bands= 454 31) Finished k-point number 32 with #bands= 452 37) Finished k-point number 38 with #bands= 454 27) Finished k-point number 28 with #bands= 452 25) Finished k-point number 26 with #bands= 452 48) Finished k-point number 49 with #bands= 464 5) Finished k-point number 6 with #bands= 454 22) Finished k-point number 23 with #bands= 458 47) Finished k-point number 48 with #bands= 460 40) Finished k-point number 41 with #bands= 460 20) Finished k-point number 21 with #bands= 452 46) Finished k-point number 47 with #bands= 456 12) Finished k-point number 13 with #bands= 454 24) Finished k-point number 25 with #bands= 454 29) Finished k-point number 30 with #bands= 452 28) Finished k-point number 29 with #bands= 454 6) Finished k-point number 7 with #bands= 452 26) Finished k-point number 27 with #bands= 454 21) Finished k-point number 22 with #bands= 456 2) Finished k-point number 3 with #bands= 458 4) Finished k-point number 5 with #bands= 454 42) Finished k-point number 43 with #bands= 452 14) Finished k-point number 15 with #bands= 458 44) Finished k-point number 45 with #bands= 452 0) Finished k-point number 1 with #bands= 458 1) Finished k-point number 2 with #bands= 456 13) Finished k-point number 14 with #bands= 452 9) Finished k-point number 10 with #bands= 458 7) Finished k-point number 8 with #bands= 456 19) Finished k-point number 20 with #bands= 454 45) Finished k-point number 46 with #bands= 452 16) Finished k-point number 17 with #bands= 458 38) Finished k-point number 39 with #bands= 454 11) Finished k-point number 12 with #bands= 452 39) Finished k-point number 40 with #bands= 456 15) Finished k-point number 16 with #bands= 458 41) Finished k-point number 42 with #bands= 460 43) Finished k-point number 44 with #bands= 452 10) Finished k-point number 11 with #bands= 458 17) Finished k-point number 18 with #bands= 458 Eimp= -1.39631294623104 -1.39672044153026 -2.20411349850365 -2.20408576229602 -2.14443632168318 -2.14460869431895 -6.708378873909352E-009 -6.708378869155742E-009 5.868622162612758E-003 -1.39631294622974 -1.39672044152772 -2.20411349850170 -2.20408576229297 -2.14443632164540 -2.14460869426675 -6.708056725757891E-009 -6.708056737272429E-009 5.868622162302777E-003 -1.39631294622972 -1.39672044152772 -2.20411349850170 -2.20408576229298 -2.14443632164542 -2.14460869426674 3.073304017091955E-008 3.073304018725134E-008 5.868622162301314E-003 -1.39631294623104 -1.39672044153026 -2.20411349850365 -2.20408576229603 -2.14443632168318 -2.14460869431894 3.073271785694718E-008 3.073271784740321E-008 5.868622162611708E-003 -1.39629485870784 -1.39670241809993 -2.20409579630400 -2.20406807456678 -2.14442371441662 -2.14459613903774 -1.848009048785256E-007 -1.848009048780661E-007 5.872720223384258E-003 -1.39629485870700 -1.39670241810229 -2.20409579630597 -2.20406807456983 -2.14442371440824 -2.14459613905230 -1.848012215392996E-007 -1.848012215280308E-007 5.872720223697443E-003 -1.39629485870700 -1.39670241810229 -2.20409579630593 -2.20406807456979 -2.14442371440829 -2.14459613905236 2.088305756227336E-007 2.088305756274811E-007 5.872720223677515E-003 -1.39629485870786 -1.39670241809993 -2.20409579630396 -2.20406807456674 -2.14442371441666 -2.14459613903779 2.088308920587188E-007 2.088308920676738E-007 5.872720223364752E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.139108967537057E-008 2.139108967537057E-008 -5.637491264914224E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.139162925456689E-008 2.139162925456689E-008 -5.637491264748047E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.074813816342822E-009 -5.074813816342822E-009 -5.637491264734781E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.075363078681942E-009 -5.075363078681942E-009 -5.637491264903863E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.935667329956482E-007 -1.935667329956482E-007 -5.637169466207708E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.935666329565589E-007 -1.935666329565589E-007 -5.637169466004173E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.098826195222932E-007 2.098826195222932E-007 -5.637169466353116E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.098825139742409E-007 2.098825139742409E-007 -5.637169466557624E-004 =====>>> CPU TIME SUMMARY TOTAL : 623.2 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 17) Finished k-point number 18 with #bands= 458 26) Finished k-point number 27 with #bands= 454 21) Finished k-point number 22 with #bands= 456 47) Finished k-point number 48 with #bands= 460 38) Finished k-point number 39 with #bands= 454 13) Finished k-point number 14 with #bands= 452 23) Finished k-point number 24 with #bands= 458 4) Finished k-point number 5 with #bands= 454 6) Finished k-point number 7 with #bands= 452 32) Finished k-point number 33 with #bands= 452 25) Finished k-point number 26 with #bands= 452 39) Finished k-point number 40 with #bands= 456 3) Finished k-point number 4 with #bands= 456 2) Finished k-point number 3 with #bands= 458 28) Finished k-point number 29 with #bands= 454 29) Finished k-point number 30 with #bands= 452 24) Finished k-point number 25 with #bands= 454 22) Finished k-point number 23 with #bands= 458 36) Finished k-point number 37 with #bands= 454 30) Finished k-point number 31 with #bands= 452 5) Finished k-point number 6 with #bands= 454 33) Finished k-point number 34 with #bands= 456 31) Finished k-point number 32 with #bands= 452 37) Finished k-point number 38 with #bands= 454 46) Finished k-point number 47 with #bands= 456 44) Finished k-point number 45 with #bands= 452 27) Finished k-point number 28 with #bands= 452 34) Finished k-point number 35 with #bands= 456 45) Finished k-point number 46 with #bands= 452 48) Finished k-point number 49 with #bands= 464 15) Finished k-point number 16 with #bands= 458 1) Finished k-point number 2 with #bands= 456 35) Finished k-point number 36 with #bands= 454 0) Finished k-point number 1 with #bands= 458 42) Finished k-point number 43 with #bands= 452 9) Finished k-point number 10 with #bands= 458 14) Finished k-point number 15 with #bands= 458 10) Finished k-point number 11 with #bands= 458 19) Finished k-point number 20 with #bands= 454 43) Finished k-point number 44 with #bands= 452 11) Finished k-point number 12 with #bands= 452 18) Finished k-point number 19 with #bands= 452 20) Finished k-point number 21 with #bands= 452 16) Finished k-point number 17 with #bands= 458 40) Finished k-point number 41 with #bands= 460 7) Finished k-point number 8 with #bands= 456 8) Finished k-point number 9 with #bands= 456 41) Finished k-point number 42 with #bands= 460 12) Finished k-point number 13 with #bands= 454 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745190810442832 0.745190810442832 0.761000845250537 0.761000845250537 0.760574423913526 0.760574423913526 3.975056554978504E-009 3.975056554978504E-009 -4.224964412900829E-004 0.745190810443229 0.745190810442836 0.761000845250537 0.761000845250537 0.760574423913526 0.760574423913526 3.975229922312199E-009 3.975229922312199E-009 -4.224964412796433E-004 0.745190810443232 0.745190810442837 0.761000845250537 0.761000845250537 0.760574423913527 0.760574423913527 8.183572253024739E-009 8.183572253024739E-009 -4.224964412800032E-004 0.745190810442832 0.745190810442832 0.761000845250537 0.761000845250537 0.760574423913527 0.760574423913527 8.183400363420624E-009 8.183400363420624E-009 -4.224964412901937E-004 0.745188540524836 0.745188540522057 0.761002600770371 0.761002600770371 0.760574114567269 0.760574114567269 -3.901466114195272E-007 -3.901466114195272E-007 -4.217733476616734E-004 0.745188540521996 0.745188540521996 0.761002600770371 0.761002600770371 0.760574114567269 0.760574114567269 -3.901456485837132E-007 -3.901456485837132E-007 -4.217733476844041E-004 0.745188540521997 0.745188540521997 0.761002600770348 0.761002600770348 0.760574114567296 0.760574114567296 4.023044519590314E-007 4.023044519590314E-007 -4.217733477534556E-004 0.745188540524838 0.745188540522058 0.761002600770348 0.761002600770348 0.760574114567296 0.760574114567296 4.023034884614663E-007 4.023034884614663E-007 -4.217733477308198E-004 1) Finished k-point number 2 with #bands= 456 48) Finished k-point number 49 with #bands= 464 3) Finished k-point number 4 with #bands= 456 36) Finished k-point number 37 with #bands= 454 34) Finished k-point number 35 with #bands= 456 16) Finished k-point number 17 with #bands= 458 11) Finished k-point number 12 with #bands= 452 33) Finished k-point number 34 with #bands= 456 32) Finished k-point number 33 with #bands= 452 2) Finished k-point number 3 with #bands= 458 30) Finished k-point number 31 with #bands= 452 31) Finished k-point number 32 with #bands= 452 47) Finished k-point number 48 with #bands= 460 37) Finished k-point number 38 with #bands= 454 38) Finished k-point number 39 with #bands= 454 23) Finished k-point number 24 with #bands= 458 29) Finished k-point number 30 with #bands= 452 39) Finished k-point number 40 with #bands= 456 35) Finished k-point number 36 with #bands= 454 46) Finished k-point number 47 with #bands= 456 28) Finished k-point number 29 with #bands= 454 0) Finished k-point number 1 with #bands= 458 25) Finished k-point number 26 with #bands= 452 19) Finished k-point number 20 with #bands= 454 24) Finished k-point number 25 with #bands= 454 26) Finished k-point number 27 with #bands= 454 5) Finished k-point number 6 with #bands= 454 22) Finished k-point number 23 with #bands= 458 4) Finished k-point number 5 with #bands= 454 10) Finished k-point number 11 with #bands= 458 44) Finished k-point number 45 with #bands= 452 43) Finished k-point number 44 with #bands= 452 9) Finished k-point number 10 with #bands= 458 18) Finished k-point number 19 with #bands= 452 6) Finished k-point number 7 with #bands= 452 40) Finished k-point number 41 with #bands= 460 27) Finished k-point number 28 with #bands= 452 13) Finished k-point number 14 with #bands= 452 14) Finished k-point number 15 with #bands= 458 8) Finished k-point number 9 with #bands= 456 15) Finished k-point number 16 with #bands= 458 21) Finished k-point number 22 with #bands= 456 42) Finished k-point number 43 with #bands= 452 20) Finished k-point number 21 with #bands= 452 7) Finished k-point number 8 with #bands= 456 45) Finished k-point number 46 with #bands= 452 17) Finished k-point number 18 with #bands= 458 12) Finished k-point number 13 with #bands= 454 41) Finished k-point number 42 with #bands= 460 Eimp= -1.39693648796701 -1.39734342340991 -2.20483122609059 -2.20480338630664 -2.14499164875663 -2.14516384021415 1.871625669506870E-008 1.871625669891838E-008 5.804189152321861E-003 -1.39693648796666 -1.39734342340745 -2.20483122608870 -2.20480338630361 -2.14499164872981 -2.14516384016629 1.871656430915193E-008 1.871656430375758E-008 5.804189151950419E-003 -1.39693648796667 -1.39734342340745 -2.20483122608870 -2.20480338630361 -2.14499164872982 -2.14516384016629 5.320105765638686E-009 5.320105757412197E-009 5.804189151950573E-003 -1.39693648796701 -1.39734342340991 -2.20483122609059 -2.20480338630664 -2.14499164875663 -2.14516384021415 5.319798178743618E-009 5.319798175972148E-009 5.804189152322257E-003 -1.39692165539121 -1.39732858726599 -2.20483333565076 -2.20480549636661 -2.14499417997056 -2.14516628702733 -5.262306213254929E-007 -5.262306213285686E-007 5.809764520761927E-003 -1.39692165538701 -1.39732858726838 -2.20483333565264 -2.20480549636964 -2.14499417996759 -2.14516628704882 -5.262309457410374E-007 -5.262309457311135E-007 5.809764521135948E-003 -1.39692165538700 -1.39732858726838 -2.20483333565252 -2.20480549636952 -2.14499417996773 -2.14516628704896 5.502703210729347E-007 5.502703210813565E-007 5.809764521083165E-003 -1.39692165539121 -1.39732858726599 -2.20483333565063 -2.20480549636649 -2.14499417997070 -2.14516628702749 5.502706455215280E-007 5.502706455248274E-007 5.809764520708971E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.334280158147377E-009 5.334280158147377E-009 -5.610437650143806E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.334512805161221E-009 5.334512805161221E-009 -5.610437650005162E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.098184805390814E-008 1.098184805390814E-008 -5.610437650009916E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.098161738931313E-008 1.098161738931313E-008 -5.610437650145210E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.235542284971083E-007 -5.235542284971083E-007 -5.600837576221159E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -5.235529364277621E-007 -5.235529364277621E-007 -5.600837576523230E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.398693486047823E-007 5.398693486047823E-007 -5.600837577440298E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.398680556471410E-007 5.398680556471410E-007 -5.600837577139504E-004 =====>>> CPU TIME SUMMARY TOTAL : 594.5 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 3) Finished k-point number 4 with #bands= 456 37) Finished k-point number 38 with #bands= 454 19) Finished k-point number 20 with #bands= 454 45) Finished k-point number 46 with #bands= 452 44) Finished k-point number 45 with #bands= 452 27) Finished k-point number 28 with #bands= 452 17) Finished k-point number 18 with #bands= 458 16) Finished k-point number 17 with #bands= 458 23) Finished k-point number 24 with #bands= 458 26) Finished k-point number 27 with #bands= 454 22) Finished k-point number 23 with #bands= 458 4) Finished k-point number 5 with #bands= 454 0) Finished k-point number 1 with #bands= 458 39) Finished k-point number 40 with #bands= 456 5) Finished k-point number 6 with #bands= 454 11) Finished k-point number 12 with #bands= 452 1) Finished k-point number 2 with #bands= 456 2) Finished k-point number 3 with #bands= 458 28) Finished k-point number 29 with #bands= 454 47) Finished k-point number 48 with #bands= 460 46) Finished k-point number 47 with #bands= 456 24) Finished k-point number 25 with #bands= 454 38) Finished k-point number 39 with #bands= 454 15) Finished k-point number 16 with #bands= 458 7) Finished k-point number 8 with #bands= 456 31) Finished k-point number 32 with #bands= 452 30) Finished k-point number 31 with #bands= 452 48) Finished k-point number 49 with #bands= 464 34) Finished k-point number 35 with #bands= 456 25) Finished k-point number 26 with #bands= 452 29) Finished k-point number 30 with #bands= 452 43) Finished k-point number 44 with #bands= 452 20) Finished k-point number 21 with #bands= 452 21) Finished k-point number 22 with #bands= 456 42) Finished k-point number 43 with #bands= 452 6) Finished k-point number 7 with #bands= 452 41) Finished k-point number 42 with #bands= 460 18) Finished k-point number 19 with #bands= 452 10) Finished k-point number 11 with #bands= 458 12) Finished k-point number 13 with #bands= 454 14) Finished k-point number 15 with #bands= 458 36) Finished k-point number 37 with #bands= 452 35) Finished k-point number 36 with #bands= 454 33) Finished k-point number 34 with #bands= 456 32) Finished k-point number 33 with #bands= 452 9) Finished k-point number 10 with #bands= 458 8) Finished k-point number 9 with #bands= 456 40) Finished k-point number 41 with #bands= 460 13) Finished k-point number 14 with #bands= 452 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745205957932488 0.745205957932488 0.761016926011727 0.761016926011727 0.760592263039385 0.760592263039385 6.418508228307685E-009 6.418508228307685E-009 -4.237858401542632E-004 0.745205957936631 0.745205957932512 0.761016926011727 0.761016926011727 0.760592263039385 0.760592263039385 6.416838220882554E-009 6.416838220882554E-009 -4.237858401115597E-004 0.745205957936632 0.745205957932512 0.761016926011727 0.761016926011727 0.760592263039385 0.760592263039385 5.738893244316696E-009 5.738893244316696E-009 -4.237858401116879E-004 0.745205957932488 0.745205957932488 0.761016926011727 0.761016926011727 0.760592263039385 0.760592263039385 5.740564202179493E-009 5.740564202179493E-009 -4.237858401542656E-004 0.745205078392681 0.745205078388602 0.761016243204937 0.761016243204937 0.760591516213472 0.760591516213471 -1.004290204856907E-006 -1.004290204856907E-006 -4.234771253482560E-004 0.745205078388530 0.745205078388530 0.761016243204938 0.761016243204937 0.760591516213471 0.760591516213471 -1.004288602279287E-006 -1.004288602279287E-006 -4.234771253550375E-004 0.745205078388532 0.745205078388532 0.761016243204880 0.761016243204880 0.760591516213541 0.760591516213541 1.016447775552323E-006 1.016447775552323E-006 -4.234771255317688E-004 0.745205078392685 0.745205078388604 0.761016243204880 0.761016243204880 0.760591516213541 0.760591516213541 1.016446171533955E-006 1.016446171533955E-006 -4.234771255250114E-004 3) Finished k-point number 4 with #bands= 456 30) Finished k-point number 31 with #bands= 452 0) Finished k-point number 1 with #bands= 458 1) Finished k-point number 2 with #bands= 456 39) Finished k-point number 40 with #bands= 456 5) Finished k-point number 6 with #bands= 454 38) Finished k-point number 39 with #bands= 454 34) Finished k-point number 35 with #bands= 456 4) Finished k-point number 5 with #bands= 454 2) Finished k-point number 3 with #bands= 458 31) Finished k-point number 32 with #bands= 452 37) Finished k-point number 38 with #bands= 454 35) Finished k-point number 36 with #bands= 454 36) Finished k-point number 37 with #bands= 452 33) Finished k-point number 34 with #bands= 456 32) Finished k-point number 33 with #bands= 452 28) Finished k-point number 29 with #bands= 454 23) Finished k-point number 24 with #bands= 458 17) Finished k-point number 18 with #bands= 458 48) Finished k-point number 49 with #bands= 464 24) Finished k-point number 25 with #bands= 454 22) Finished k-point number 23 with #bands= 458 27) Finished k-point number 28 with #bands= 452 29) Finished k-point number 30 with #bands= 452 46) Finished k-point number 47 with #bands= 456 15) Finished k-point number 16 with #bands= 458 25) Finished k-point number 26 with #bands= 452 47) Finished k-point number 48 with #bands= 460 43) Finished k-point number 44 with #bands= 452 26) Finished k-point number 27 with #bands= 454 9) Finished k-point number 10 with #bands= 458 42) Finished k-point number 43 with #bands= 452 8) Finished k-point number 9 with #bands= 456 7) Finished k-point number 8 with #bands= 456 21) Finished k-point number 22 with #bands= 456 16) Finished k-point number 17 with #bands= 458 44) Finished k-point number 45 with #bands= 452 18) Finished k-point number 19 with #bands= 452 13) Finished k-point number 14 with #bands= 452 41) Finished k-point number 42 with #bands= 460 19) Finished k-point number 20 with #bands= 454 10) Finished k-point number 11 with #bands= 458 11) Finished k-point number 12 with #bands= 452 6) Finished k-point number 7 with #bands= 452 45) Finished k-point number 46 with #bands= 452 14) Finished k-point number 15 with #bands= 458 12) Finished k-point number 13 with #bands= 454 20) Finished k-point number 21 with #bands= 452 40) Finished k-point number 41 with #bands= 460 Eimp= -1.39814916664108 -1.39855646297071 -2.20582366957174 -2.20579596060862 -2.14647306503634 -2.14664540740636 1.527497004782108E-008 1.527497003330400E-008 6.014148920574145E-003 -1.39814916664774 -1.39855646296829 -2.20582366956980 -2.20579596060560 -2.14647306501513 -2.14664540736724 1.527528202021468E-008 1.527528201083531E-008 6.014148920284028E-003 -1.39814916664774 -1.39855646296829 -2.20582366956981 -2.20579596060560 -2.14647306501514 -2.14664540736725 8.780680963952718E-009 8.780680966194129E-009 6.014148920284167E-003 -1.39814916664108 -1.39855646297071 -2.20582366957174 -2.20579596060862 -2.14647306503634 -2.14664540740636 8.780368994239534E-009 8.780369012363477E-009 6.014148920574234E-003 -1.39814756918335 -1.39855486716550 -2.20582622647585 -2.20579849739057 -2.14647549924828 -2.14664777704104 -1.376771667904315E-006 -1.376771667904551E-006 6.011488476601825E-003 -1.39814756917665 -1.39855486716779 -2.20582622647781 -2.20579849739358 -2.14647549921593 -2.14664777704265 -1.376771955247781E-006 -1.376771955258287E-006 6.011488476898585E-003 -1.39814756917665 -1.39855486716779 -2.20582622647751 -2.20579849739328 -2.14647549921629 -2.14664777704302 1.400832701499125E-006 1.400832701503291E-006 6.011488476762412E-003 -1.39814756918335 -1.39855486716550 -2.20582622647554 -2.20579849739026 -2.14647549924864 -2.14664777704141 1.400832988919565E-006 1.400832988922146E-006 6.011488476465506E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.613066173736801E-009 8.613066173736801E-009 -5.627443254000509E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.610825171786157E-009 8.610825171786157E-009 -5.627443253433397E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.701083417525197E-009 7.701083417525197E-009 -5.627443253435036E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.703325686052717E-009 7.703325686052717E-009 -5.627443254000527E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.347669566377771E-006 -1.347669566377771E-006 -5.623349677839205E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.347667415857516E-006 -1.347667415857516E-006 -5.623349677929549E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.363983962306289E-006 1.363983962306289E-006 -5.623349680276545E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.363981809849543E-006 1.363981809849543E-006 -5.623349680186580E-004 =====>>> CPU TIME SUMMARY TOTAL : 576.9 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 31) Finished k-point number 32 with #bands= 452 39) Finished k-point number 40 with #bands= 456 1) Finished k-point number 2 with #bands= 456 4) Finished k-point number 5 with #bands= 454 28) Finished k-point number 29 with #bands= 454 29) Finished k-point number 30 with #bands= 452 23) Finished k-point number 24 with #bands= 458 38) Finished k-point number 39 with #bands= 454 5) Finished k-point number 6 with #bands= 454 3) Finished k-point number 4 with #bands= 456 47) Finished k-point number 48 with #bands= 460 11) Finished k-point number 12 with #bands= 452 13) Finished k-point number 14 with #bands= 452 46) Finished k-point number 47 with #bands= 456 30) Finished k-point number 31 with #bands= 452 26) Finished k-point number 27 with #bands= 454 48) Finished k-point number 49 with #bands= 464 34) Finished k-point number 35 with #bands= 456 36) Finished k-point number 37 with #bands= 454 32) Finished k-point number 33 with #bands= 452 27) Finished k-point number 28 with #bands= 452 22) Finished k-point number 23 with #bands= 458 24) Finished k-point number 25 with #bands= 454 25) Finished k-point number 26 with #bands= 452 17) Finished k-point number 18 with #bands= 458 42) Finished k-point number 43 with #bands= 452 33) Finished k-point number 34 with #bands= 456 14) Finished k-point number 15 with #bands= 458 45) Finished k-point number 46 with #bands= 452 2) Finished k-point number 3 with #bands= 458 8) Finished k-point number 9 with #bands= 456 12) Finished k-point number 13 with #bands= 454 0) Finished k-point number 1 with #bands= 458 35) Finished k-point number 36 with #bands= 454 37) Finished k-point number 38 with #bands= 454 41) Finished k-point number 42 with #bands= 460 9) Finished k-point number 10 with #bands= 458 44) Finished k-point number 45 with #bands= 452 16) Finished k-point number 17 with #bands= 458 19) Finished k-point number 20 with #bands= 454 10) Finished k-point number 11 with #bands= 458 21) Finished k-point number 22 with #bands= 456 7) Finished k-point number 8 with #bands= 456 20) Finished k-point number 21 with #bands= 452 18) Finished k-point number 19 with #bands= 452 6) Finished k-point number 7 with #bands= 452 40) Finished k-point number 41 with #bands= 460 43) Finished k-point number 44 with #bands= 452 15) Finished k-point number 16 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745195357212807 0.745195357212806 0.761012466551453 0.761012466551453 0.760580108371605 0.760580108371605 6.164078190976932E-009 6.164078190976932E-009 -4.213002892319834E-004 0.745195357213476 0.745195357212814 0.761012466551453 0.761012466551453 0.760580108371605 0.760580108371605 6.164120909275051E-009 6.164120909275051E-009 -4.213002891947862E-004 0.745195357213490 0.745195357212814 0.761012466551452 0.761012466551452 0.760580108371607 0.760580108371607 5.994584361857131E-009 5.994584361857131E-009 -4.213002891957627E-004 0.745195357212806 0.745195357212806 0.761012466551452 0.761012466551452 0.760580108371607 0.760580108371607 5.994549635510240E-009 5.994549635510240E-009 -4.213002892328519E-004 0.745193315473696 0.745193315473206 0.761010896699635 0.761010896699635 0.760578300618077 0.760578300618077 -1.455830552343567E-006 -1.455830552343567E-006 -4.214757004613310E-004 0.745193315473173 0.745193315473173 0.761010896699635 0.761010896699635 0.760578300618077 0.760578300618077 -1.455830705122414E-006 -1.455830705122414E-006 -4.214757004926506E-004 0.745193315473176 0.745193315473176 0.761010896699551 0.761010896699551 0.760578300618177 0.760578300618177 1.467989314780337E-006 1.467989314780337E-006 -4.214757007484618E-004 0.745193315473692 0.745193315473209 0.761010896699551 0.761010896699551 0.760578300618177 0.760578300618177 1.467989471171899E-006 1.467989471171899E-006 -4.214757007171096E-004 22) Finished k-point number 23 with #bands= 458 32) Finished k-point number 33 with #bands= 452 31) Finished k-point number 32 with #bands= 452 33) Finished k-point number 34 with #bands= 456 1) Finished k-point number 2 with #bands= 456 38) Finished k-point number 39 with #bands= 454 4) Finished k-point number 5 with #bands= 454 37) Finished k-point number 38 with #bands= 454 39) Finished k-point number 40 with #bands= 456 5) Finished k-point number 6 with #bands= 454 34) Finished k-point number 35 with #bands= 456 2) Finished k-point number 3 with #bands= 458 20) Finished k-point number 21 with #bands= 452 35) Finished k-point number 36 with #bands= 454 36) Finished k-point number 37 with #bands= 454 3) Finished k-point number 4 with #bands= 456 30) Finished k-point number 31 with #bands= 452 27) Finished k-point number 28 with #bands= 452 0) Finished k-point number 1 with #bands= 458 24) Finished k-point number 25 with #bands= 454 28) Finished k-point number 29 with #bands= 454 48) Finished k-point number 49 with #bands= 464 23) Finished k-point number 24 with #bands= 458 25) Finished k-point number 26 with #bands= 452 46) Finished k-point number 47 with #bands= 456 29) Finished k-point number 30 with #bands= 452 7) Finished k-point number 8 with #bands= 456 43) Finished k-point number 44 with #bands= 452 17) Finished k-point number 18 with #bands= 458 19) Finished k-point number 20 with #bands= 454 26) Finished k-point number 27 with #bands= 454 44) Finished k-point number 45 with #bands= 452 13) Finished k-point number 14 with #bands= 452 11) Finished k-point number 12 with #bands= 452 16) Finished k-point number 17 with #bands= 458 47) Finished k-point number 48 with #bands= 460 9) Finished k-point number 10 with #bands= 458 15) Finished k-point number 16 with #bands= 458 45) Finished k-point number 46 with #bands= 452 18) Finished k-point number 19 with #bands= 452 12) Finished k-point number 13 with #bands= 454 8) Finished k-point number 9 with #bands= 456 14) Finished k-point number 15 with #bands= 458 6) Finished k-point number 7 with #bands= 452 10) Finished k-point number 11 with #bands= 458 40) Finished k-point number 41 with #bands= 460 21) Finished k-point number 22 with #bands= 456 42) Finished k-point number 43 with #bands= 452 41) Finished k-point number 42 with #bands= 460 Eimp= -1.39758218396442 -1.39798961421702 -2.20564647109453 -2.20561878692903 -2.14552804174799 -2.14570063280219 1.467918190999842E-008 1.467918191759565E-008 5.693002672149142E-003 -1.39758218396457 -1.39798961421452 -2.20564647109265 -2.20561878692601 -2.14552804172207 -2.14570063276498 1.467950066184798E-008 1.467950066876634E-008 5.693002671808154E-003 -1.39758218396459 -1.39798961421452 -2.20564647109264 -2.20561878692601 -2.14552804172208 -2.14570063276497 9.370137025626998E-009 9.370137030319961E-009 5.693002671808401E-003 -1.39758218396442 -1.39798961421702 -2.20564647109453 -2.20561878692903 -2.14552804174800 -2.14570063280220 9.369818469518168E-009 9.369818470881352E-009 5.693002672149157E-003 -1.39761058053046 -1.39801803797666 -2.20567450696455 -2.20564685283341 -2.14556642109700 -2.14573899241916 -2.019261202229157E-006 -2.019261202236712E-006 5.692854142930937E-003 -1.39761058053057 -1.39801803797910 -2.20567450696646 -2.20564685283644 -2.14556642110944 -2.14573899245310 -2.019261508607813E-006 -2.019261508606822E-006 5.692854143296290E-003 -1.39761058053057 -1.39801803797910 -2.20567450696601 -2.20564685283599 -2.14556642110996 -2.14573899245363 2.043311479429511E-006 2.043311479424578E-006 5.692854143098214E-003 -1.39761058053045 -1.39801803797666 -2.20567450696410 -2.20564685283296 -2.14556642109756 -2.14573899241969 2.043311785845184E-006 2.043311785855862E-006 5.692854142732687E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.271761394325044E-009 8.271761394325044E-009 -5.594493858614159E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.271818720017519E-009 8.271818720017519E-009 -5.594493858120191E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.044312545244685E-009 8.044312545244685E-009 -5.594493858133127E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.044265937102273E-009 8.044265937102273E-009 -5.594493858625716E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.953628034653071E-006 -1.953628034653071E-006 -5.596836604044031E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.953628239670574E-006 -1.953628239670574E-006 -5.596836604460096E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.969944287341852E-006 1.969944287341852E-006 -5.596836607857289E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.969944497205925E-006 1.969944497205925E-006 -5.596836607440867E-004 =====>>> CPU TIME SUMMARY TOTAL : 645.5 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 22) Finished k-point number 23 with #bands= 458 16) Finished k-point number 17 with #bands= 458 43) Finished k-point number 44 with #bands= 452 26) Finished k-point number 27 with #bands= 454 12) Finished k-point number 13 with #bands= 454 39) Finished k-point number 40 with #bands= 456 28) Finished k-point number 29 with #bands= 454 3) Finished k-point number 4 with #bands= 456 1) Finished k-point number 2 with #bands= 456 2) Finished k-point number 3 with #bands= 458 9) Finished k-point number 10 with #bands= 458 25) Finished k-point number 26 with #bands= 452 27) Finished k-point number 28 with #bands= 452 46) Finished k-point number 47 with #bands= 456 47) Finished k-point number 48 with #bands= 460 17) Finished k-point number 18 with #bands= 458 44) Finished k-point number 45 with #bands= 452 31) Finished k-point number 32 with #bands= 452 48) Finished k-point number 49 with #bands= 464 33) Finished k-point number 34 with #bands= 456 24) Finished k-point number 25 with #bands= 454 37) Finished k-point number 38 with #bands= 454 30) Finished k-point number 31 with #bands= 452 11) Finished k-point number 12 with #bands= 452 8) Finished k-point number 9 with #bands= 456 7) Finished k-point number 8 with #bands= 456 5) Finished k-point number 6 with #bands= 454 20) Finished k-point number 21 with #bands= 452 23) Finished k-point number 24 with #bands= 458 38) Finished k-point number 39 with #bands= 454 19) Finished k-point number 20 with #bands= 454 45) Finished k-point number 46 with #bands= 452 32) Finished k-point number 33 with #bands= 452 4) Finished k-point number 5 with #bands= 454 0) Finished k-point number 1 with #bands= 458 35) Finished k-point number 36 with #bands= 454 29) Finished k-point number 30 with #bands= 452 41) Finished k-point number 42 with #bands= 460 10) Finished k-point number 11 with #bands= 458 36) Finished k-point number 37 with #bands= 454 34) Finished k-point number 35 with #bands= 456 21) Finished k-point number 22 with #bands= 456 13) Finished k-point number 14 with #bands= 452 40) Finished k-point number 41 with #bands= 460 18) Finished k-point number 19 with #bands= 452 42) Finished k-point number 43 with #bands= 452 6) Finished k-point number 7 with #bands= 452 15) Finished k-point number 16 with #bands= 458 14) Finished k-point number 15 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745188558877697 0.745188558877697 0.761000381997370 0.761000381997370 0.760573916267119 0.760573916267119 6.190102819818186E-009 6.190102819818186E-009 -4.226750930902415E-004 0.745188558879186 0.745188558877716 0.761000381997370 0.761000381997370 0.760573916267119 0.760573916267119 6.189751782695676E-009 6.189751782695676E-009 -4.226750930568058E-004 0.745188558879173 0.745188558877717 0.761000381997370 0.761000381997370 0.760573916267118 0.760573916267118 5.968130487773575E-009 5.968130487773575E-009 -4.226750930562507E-004 0.745188558877698 0.745188558877698 0.761000381997370 0.761000381997370 0.760573916267118 0.760573916267118 5.968474310710298E-009 5.968474310710298E-009 -4.226750930898215E-004 0.745187680948295 0.745187680947186 0.760999919578695 0.760999919578694 0.760573279304675 0.760573279304675 -7.804852662301858E-007 -7.804852662301858E-007 -4.223362753243805E-004 0.745187680947172 0.745187680947172 0.760999919578694 0.760999919578694 0.760573279304675 0.760573279304675 -7.804850912746573E-007 -7.804850912746573E-007 -4.223362753433691E-004 0.745187680947173 0.745187680947173 0.760999919578650 0.760999919578650 0.760573279304730 0.760573279304729 7.926436700876926E-007 7.926436700876926E-007 -4.223362754806022E-004 0.745187680948292 0.745187680947187 0.760999919578650 0.760999919578650 0.760573279304729 0.760573279304730 7.926434972658785E-007 7.926434972658785E-007 -4.223362754617271E-004 39) Finished k-point number 40 with #bands= 456 38) Finished k-point number 39 with #bands= 454 0) Finished k-point number 1 with #bands= 458 4) Finished k-point number 5 with #bands= 454 1) Finished k-point number 2 with #bands= 456 35) Finished k-point number 36 with #bands= 454 5) Finished k-point number 6 with #bands= 454 3) Finished k-point number 4 with #bands= 456 36) Finished k-point number 37 with #bands= 454 2) Finished k-point number 3 with #bands= 458 32) Finished k-point number 33 with #bands= 452 33) Finished k-point number 34 with #bands= 456 30) Finished k-point number 31 with #bands= 452 37) Finished k-point number 38 with #bands= 454 34) Finished k-point number 35 with #bands= 456 31) Finished k-point number 32 with #bands= 452 24) Finished k-point number 25 with #bands= 454 17) Finished k-point number 18 with #bands= 458 48) Finished k-point number 49 with #bands= 464 22) Finished k-point number 23 with #bands= 458 27) Finished k-point number 28 with #bands= 452 46) Finished k-point number 47 with #bands= 456 11) Finished k-point number 12 with #bands= 452 28) Finished k-point number 29 with #bands= 454 23) Finished k-point number 24 with #bands= 458 29) Finished k-point number 30 with #bands= 452 26) Finished k-point number 27 with #bands= 454 15) Finished k-point number 16 with #bands= 458 8) Finished k-point number 9 with #bands= 456 44) Finished k-point number 45 with #bands= 452 45) Finished k-point number 46 with #bands= 452 25) Finished k-point number 26 with #bands= 452 40) Finished k-point number 41 with #bands= 460 21) Finished k-point number 22 with #bands= 456 47) Finished k-point number 48 with #bands= 460 18) Finished k-point number 19 with #bands= 452 43) Finished k-point number 44 with #bands= 452 6) Finished k-point number 7 with #bands= 452 13) Finished k-point number 14 with #bands= 452 20) Finished k-point number 21 with #bands= 452 10) Finished k-point number 11 with #bands= 458 16) Finished k-point number 17 with #bands= 458 12) Finished k-point number 13 with #bands= 454 9) Finished k-point number 10 with #bands= 458 42) Finished k-point number 43 with #bands= 452 41) Finished k-point number 42 with #bands= 460 14) Finished k-point number 15 with #bands= 458 19) Finished k-point number 20 with #bands= 454 7) Finished k-point number 8 with #bands= 456 Eimp= -1.39722192995645 -1.39762951664121 -2.20509658410223 -2.20506911021350 -2.14527978730742 -2.14545219561476 1.359765857369721E-008 1.359765857766037E-008 5.809505166022847E-003 -1.39722192995809 -1.39762951663876 -2.20509658410033 -2.20506911021047 -2.14527978727830 -2.14545219557485 1.359798293005811E-008 1.359798291934082E-008 5.809505165704275E-003 -1.39722192995806 -1.39762951663876 -2.20509658410033 -2.20506911021047 -2.14527978727827 -2.14545219557485 1.044417730283905E-008 1.044417729114849E-008 5.809505165707627E-003 -1.39722192995645 -1.39762951664121 -2.20509658410223 -2.20506911021350 -2.14527978730743 -2.14545219561476 1.044385292236188E-008 1.044385293800135E-008 5.809505166026537E-003 -1.39722263938475 -1.39763022026951 -2.20511196650209 -2.20508449243806 -2.14529032969455 -2.14546272083256 -1.066348307189034E-006 -1.066348307177315E-006 5.805864203740430E-003 -1.39722263938375 -1.39763022027196 -2.20511196650400 -2.20508449244109 -2.14529032970065 -2.14546272086714 -1.066348616837111E-006 -1.066348616820247E-006 5.805864204050304E-003 -1.39722263938374 -1.39763022027196 -2.20511196650376 -2.20508449244085 -2.14529032970094 -2.14546272086742 1.090391089546926E-006 1.090391089544856E-006 5.805864203944264E-003 -1.39722263938473 -1.39763022026951 -2.20511196650185 -2.20508449243782 -2.14529032969483 -2.14546272083286 1.090391399239095E-006 1.090391399241808E-006 5.805864203634472E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.306760408484335E-009 8.306760408484335E-009 -5.612820200657648E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.306289341384223E-009 8.306289341384223E-009 -5.612820200213598E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.008886363563560E-009 8.008886363563560E-009 -5.612820200206202E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.009347753555401E-009 8.009347753555401E-009 -5.612820200652051E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.047367376281065E-006 -1.047367376281065E-006 -5.608325952856844E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.047367141499978E-006 -1.047367141499978E-006 -5.608325953109049E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.063683271147619E-006 1.063683271147619E-006 -5.608325954931595E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.063683039239448E-006 1.063683039239448E-006 -5.608325954680856E-004 =====>>> CPU TIME SUMMARY TOTAL : 576.2 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 26) Finished k-point number 27 with #bands= 454 18) Finished k-point number 19 with #bands= 452 19) Finished k-point number 20 with #bands= 454 48) Finished k-point number 49 with #bands= 464 23) Finished k-point number 24 with #bands= 458 20) Finished k-point number 21 with #bands= 452 36) Finished k-point number 37 with #bands= 454 17) Finished k-point number 18 with #bands= 458 31) Finished k-point number 32 with #bands= 452 30) Finished k-point number 31 with #bands= 452 37) Finished k-point number 38 with #bands= 454 42) Finished k-point number 43 with #bands= 452 21) Finished k-point number 22 with #bands= 456 34) Finished k-point number 35 with #bands= 456 27) Finished k-point number 28 with #bands= 452 16) Finished k-point number 17 with #bands= 458 12) Finished k-point number 13 with #bands= 454 47) Finished k-point number 48 with #bands= 460 39) Finished k-point number 40 with #bands= 456 5) Finished k-point number 6 with #bands= 454 1) Finished k-point number 2 with #bands= 456 2) Finished k-point number 3 with #bands= 458 3) Finished k-point number 4 with #bands= 456 35) Finished k-point number 36 with #bands= 454 38) Finished k-point number 39 with #bands= 454 4) Finished k-point number 5 with #bands= 454 29) Finished k-point number 30 with #bands= 452 44) Finished k-point number 45 with #bands= 452 0) Finished k-point number 1 with #bands= 458 25) Finished k-point number 26 with #bands= 452 7) Finished k-point number 8 with #bands= 456 41) Finished k-point number 42 with #bands= 460 45) Finished k-point number 46 with #bands= 452 15) Finished k-point number 16 with #bands= 458 33) Finished k-point number 34 with #bands= 456 6) Finished k-point number 7 with #bands= 452 32) Finished k-point number 33 with #bands= 452 14) Finished k-point number 15 with #bands= 458 24) Finished k-point number 25 with #bands= 454 46) Finished k-point number 47 with #bands= 456 22) Finished k-point number 23 with #bands= 458 28) Finished k-point number 29 with #bands= 454 43) Finished k-point number 44 with #bands= 452 10) Finished k-point number 11 with #bands= 458 8) Finished k-point number 9 with #bands= 456 13) Finished k-point number 14 with #bands= 452 9) Finished k-point number 10 with #bands= 458 11) Finished k-point number 12 with #bands= 452 40) Finished k-point number 41 with #bands= 460 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745187827406485 0.745187827406485 0.761002056338240 0.761002056338240 0.760573160005109 0.760573160005109 4.389766682289549E-009 4.389766682289549E-009 -4.219937636013700E-004 0.745187827406845 0.745187827406499 0.761002056338240 0.761002056338240 0.760573160005109 0.760573160005109 4.389973185105021E-009 4.389973185105021E-009 -4.219937635704213E-004 0.745187827406847 0.745187827406499 0.761002056338239 0.761002056338239 0.760573160005109 0.760573160005109 7.768937862771383E-009 7.768937862771383E-009 -4.219937635706448E-004 0.745187827406485 0.745187827406485 0.761002056338239 0.761002056338239 0.760573160005109 0.760573160005109 7.768732460761335E-009 7.768732460761335E-009 -4.219937636015363E-004 0.745187154846993 0.745187154847998 0.761001663385570 0.761001663385570 0.760572532842983 0.760572532842983 -5.908891537044107E-007 -5.908891537044107E-007 -4.228365440418701E-004 0.745187154847987 0.745187154847987 0.761001663385570 0.761001663385570 0.760572532842983 0.760572532842983 -5.908900319630388E-007 -5.908900319630388E-007 -4.228365440470943E-004 0.745187154847988 0.745187154847988 0.761001663385536 0.761001663385536 0.760572532843024 0.760572532843024 6.030483245406779E-007 6.030483245406779E-007 -4.228365441509691E-004 0.745187154846990 0.745187154847999 0.761001663385536 0.761001663385536 0.760572532843024 0.760572532843024 6.030492046633723E-007 6.030492046633723E-007 -4.228365441458850E-004 4) Finished k-point number 5 with #bands= 454 30) Finished k-point number 31 with #bands= 452 33) Finished k-point number 34 with #bands= 456 37) Finished k-point number 38 with #bands= 454 39) Finished k-point number 40 with #bands= 456 34) Finished k-point number 35 with #bands= 456 44) Finished k-point number 45 with #bands= 452 36) Finished k-point number 37 with #bands= 454 1) Finished k-point number 2 with #bands= 456 35) Finished k-point number 36 with #bands= 454 3) Finished k-point number 4 with #bands= 456 5) Finished k-point number 6 with #bands= 454 38) Finished k-point number 39 with #bands= 454 32) Finished k-point number 33 with #bands= 452 31) Finished k-point number 32 with #bands= 452 48) Finished k-point number 49 with #bands= 464 2) Finished k-point number 3 with #bands= 458 26) Finished k-point number 27 with #bands= 454 0) Finished k-point number 1 with #bands= 458 11) Finished k-point number 12 with #bands= 452 25) Finished k-point number 26 with #bands= 452 46) Finished k-point number 47 with #bands= 456 27) Finished k-point number 28 with #bands= 452 18) Finished k-point number 19 with #bands= 452 8) Finished k-point number 9 with #bands= 456 24) Finished k-point number 25 with #bands= 454 17) Finished k-point number 18 with #bands= 458 21) Finished k-point number 22 with #bands= 456 29) Finished k-point number 30 with #bands= 452 6) Finished k-point number 7 with #bands= 452 41) Finished k-point number 42 with #bands= 460 22) Finished k-point number 23 with #bands= 458 42) Finished k-point number 43 with #bands= 452 45) Finished k-point number 46 with #bands= 452 23) Finished k-point number 24 with #bands= 458 28) Finished k-point number 29 with #bands= 454 43) Finished k-point number 44 with #bands= 452 9) Finished k-point number 10 with #bands= 458 47) Finished k-point number 48 with #bands= 460 12) Finished k-point number 13 with #bands= 454 14) Finished k-point number 15 with #bands= 458 19) Finished k-point number 20 with #bands= 454 16) Finished k-point number 17 with #bands= 458 13) Finished k-point number 14 with #bands= 452 40) Finished k-point number 41 with #bands= 460 20) Finished k-point number 21 with #bands= 452 10) Finished k-point number 11 with #bands= 458 7) Finished k-point number 8 with #bands= 456 15) Finished k-point number 16 with #bands= 458 Eimp= -1.39718658387388 -1.39759410089410 -2.20515539413623 -2.20512771570349 -2.14518353606969 -2.14535596594316 2.008408144898263E-008 2.008408145251461E-008 5.743316667771045E-003 -1.39718658387344 -1.39759410089164 -2.20515539413431 -2.20512771570045 -2.14518353604653 -2.14535596590666 2.008439794447480E-008 2.008439793960057E-008 5.743316667436701E-003 -1.39718658387345 -1.39759410089164 -2.20515539413431 -2.20512771570045 -2.14518353604652 -2.14535596590668 3.958017614526450E-009 3.958017624760444E-009 5.743316667437420E-003 -1.39718658387388 -1.39759410089410 -2.20515539413623 -2.20512771570349 -2.14518353606969 -2.14535596594316 3.957701085224593E-009 3.957701089907605E-009 5.743316667771934E-003 -1.39719706455979 -1.39760461130816 -2.20515994042342 -2.20513226727859 -2.14519705490945 -2.14536949178891 -7.979031061459773E-007 -7.979031061434666E-007 5.747629777125426E-003 -1.39719706456275 -1.39760461131056 -2.20515994042536 -2.20513226728164 -2.14519705491690 -2.14536949182091 -7.979033883809098E-007 -7.979033883735199E-007 5.747629777472583E-003 -1.39719706456275 -1.39760461131056 -2.20515994042518 -2.20513226728146 -2.14519705491711 -2.14536949182112 8.219463480951145E-007 8.219463480858023E-007 5.747629777391547E-003 -1.39719706455978 -1.39760461130816 -2.20515994042324 -2.20513226727841 -2.14519705490967 -2.14536949178912 8.219466303524129E-007 8.219466303683579E-007 5.747629777044571E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.890819094330516E-009 5.890819094330516E-009 -5.603769222399617E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.891096208314950E-009 5.891096208314950E-009 -5.603769221988597E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.042547607053004E-008 1.042547607053004E-008 -5.603769221991488E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.042520043106225E-008 1.042520043106225E-008 -5.603769222401832E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -7.929406054024236E-007 -7.929406054024236E-007 -5.614964715144273E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -7.929417839825439E-007 -7.929417839825439E-007 -5.614964715213639E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.092575410273622E-007 8.092575410273622E-007 -5.614964716593167E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.092587221122471E-007 8.092587221122471E-007 -5.614964716525580E-004 =====>>> CPU TIME SUMMARY TOTAL : 601.6 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 5) Finished k-point number 6 with #bands= 454 38) Finished k-point number 39 with #bands= 454 47) Finished k-point number 48 with #bands= 460 35) Finished k-point number 36 with #bands= 454 31) Finished k-point number 32 with #bands= 452 28) Finished k-point number 29 with #bands= 454 25) Finished k-point number 26 with #bands= 452 48) Finished k-point number 49 with #bands= 464 30) Finished k-point number 31 with #bands= 452 27) Finished k-point number 28 with #bands= 452 33) Finished k-point number 34 with #bands= 456 23) Finished k-point number 24 with #bands= 458 37) Finished k-point number 38 with #bands= 454 11) Finished k-point number 12 with #bands= 452 39) Finished k-point number 40 with #bands= 456 2) Finished k-point number 3 with #bands= 458 1) Finished k-point number 2 with #bands= 456 29) Finished k-point number 30 with #bands= 452 40) Finished k-point number 41 with #bands= 460 22) Finished k-point number 23 with #bands= 458 26) Finished k-point number 27 with #bands= 454 4) Finished k-point number 5 with #bands= 454 45) Finished k-point number 46 with #bands= 452 0) Finished k-point number 1 with #bands= 458 18) Finished k-point number 19 with #bands= 452 36) Finished k-point number 37 with #bands= 454 3) Finished k-point number 4 with #bands= 456 21) Finished k-point number 22 with #bands= 456 42) Finished k-point number 43 with #bands= 452 24) Finished k-point number 25 with #bands= 454 12) Finished k-point number 13 with #bands= 454 46) Finished k-point number 47 with #bands= 456 44) Finished k-point number 45 with #bands= 452 10) Finished k-point number 11 with #bands= 458 32) Finished k-point number 33 with #bands= 452 6) Finished k-point number 7 with #bands= 452 34) Finished k-point number 35 with #bands= 456 7) Finished k-point number 8 with #bands= 456 13) Finished k-point number 14 with #bands= 452 9) Finished k-point number 10 with #bands= 458 17) Finished k-point number 18 with #bands= 458 41) Finished k-point number 42 with #bands= 460 8) Finished k-point number 9 with #bands= 456 19) Finished k-point number 20 with #bands= 454 20) Finished k-point number 21 with #bands= 452 16) Finished k-point number 17 with #bands= 458 43) Finished k-point number 44 with #bands= 452 15) Finished k-point number 16 with #bands= 458 14) Finished k-point number 15 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745204935670233 0.745204935670233 0.761010782585901 0.761010782585901 0.760588232448904 0.760588232448905 8.183218891019608E-009 8.183218891019608E-009 -4.215529973663342E-004 0.745204935670900 0.745204935670261 0.761010782585901 0.761010782585901 0.760588232448905 0.760588232448904 8.183292638168954E-009 8.183292638168954E-009 -4.215529973366171E-004 0.745204935670901 0.745204935670261 0.761010782585901 0.761010782585901 0.760588232448905 0.760588232448905 3.975814921807745E-009 3.975814921807745E-009 -4.215529973365790E-004 0.745204935670233 0.745204935670233 0.761010782585901 0.761010782585901 0.760588232448905 0.760588232448905 3.975741945065510E-009 3.975741945065510E-009 -4.215529973663435E-004 0.745208277073271 0.745208277072180 0.761012715304811 0.761012715304811 0.760590895583732 0.760590895583732 1.242071489480624E-006 1.242071489480624E-006 -4.221571419885449E-004 0.745208277072118 0.745208277072118 0.761012715304811 0.761012715304811 0.760590895583732 0.760590895583732 1.242071606992397E-006 1.242071606992397E-006 -4.221571419971903E-004 0.745208277072115 0.745208277072115 0.761012715304882 0.761012715304882 0.760590895583647 0.760590895583647 -1.229912592360139E-006 -1.229912592360139E-006 -4.221571417813161E-004 0.745208277073267 0.745208277072178 0.761012715304882 0.761012715304882 0.760590895583647 0.760590895583647 -1.229912708566083E-006 -1.229912708566083E-006 -4.221571417727014E-004 5) Finished k-point number 6 with #bands= 454 38) Finished k-point number 39 with #bands= 454 3) Finished k-point number 4 with #bands= 456 4) Finished k-point number 5 with #bands= 454 39) Finished k-point number 40 with #bands= 456 2) Finished k-point number 3 with #bands= 458 1) Finished k-point number 2 with #bands= 456 0) Finished k-point number 1 with #bands= 458 22) Finished k-point number 23 with #bands= 458 33) Finished k-point number 34 with #bands= 456 32) Finished k-point number 33 with #bands= 452 36) Finished k-point number 37 with #bands= 454 35) Finished k-point number 36 with #bands= 454 30) Finished k-point number 31 with #bands= 452 13) Finished k-point number 14 with #bands= 452 34) Finished k-point number 35 with #bands= 456 24) Finished k-point number 25 with #bands= 454 27) Finished k-point number 28 with #bands= 452 31) Finished k-point number 32 with #bands= 452 37) Finished k-point number 38 with #bands= 454 25) Finished k-point number 26 with #bands= 452 48) Finished k-point number 49 with #bands= 464 47) Finished k-point number 48 with #bands= 460 41) Finished k-point number 42 with #bands= 460 46) Finished k-point number 47 with #bands= 456 44) Finished k-point number 45 with #bands= 452 26) Finished k-point number 27 with #bands= 454 18) Finished k-point number 19 with #bands= 452 29) Finished k-point number 30 with #bands= 452 28) Finished k-point number 29 with #bands= 454 14) Finished k-point number 15 with #bands= 458 21) Finished k-point number 22 with #bands= 456 12) Finished k-point number 13 with #bands= 454 40) Finished k-point number 41 with #bands= 460 23) Finished k-point number 24 with #bands= 458 10) Finished k-point number 11 with #bands= 458 45) Finished k-point number 46 with #bands= 452 19) Finished k-point number 20 with #bands= 454 9) Finished k-point number 10 with #bands= 458 17) Finished k-point number 18 with #bands= 458 8) Finished k-point number 9 with #bands= 456 20) Finished k-point number 21 with #bands= 452 16) Finished k-point number 17 with #bands= 458 42) Finished k-point number 43 with #bands= 452 15) Finished k-point number 16 with #bands= 458 43) Finished k-point number 44 with #bands= 452 11) Finished k-point number 12 with #bands= 452 7) Finished k-point number 8 with #bands= 456 6) Finished k-point number 7 with #bands= 452 Eimp= -1.39824746867070 -1.39865463303959 -2.20615849137234 -2.20613066554756 -2.14631868022573 -2.14649104058411 2.001293169491526E-009 2.001293168635387E-009 5.798004110468008E-003 -1.39824746867085 -1.39865463303714 -2.20615849137040 -2.20613066554449 -2.14631868019745 -2.14649104053557 2.001623193828483E-009 2.001623205885979E-009 5.798004110108534E-003 -1.39824746867085 -1.39865463303714 -2.20615849137040 -2.20613066554449 -2.14631868019744 -2.14649104053557 2.205646809290793E-008 2.205646810795178E-008 5.798004110108793E-003 -1.39824746867070 -1.39865463303959 -2.20615849137233 -2.20613066554755 -2.14631868022573 -2.14649104058411 2.205613806665984E-008 2.205613806131691E-008 5.798004110468631E-003 -1.39817568707692 -1.39858283778858 -2.20608610719997 -2.20605824028427 -2.14624335645150 -2.14641573802311 1.692220582528654E-006 1.692220582516324E-006 5.794786977745350E-003 -1.39817568707585 -1.39858283779094 -2.20608610720191 -2.20605824028733 -2.14624335645678 -2.14641573804402 1.692220262859340E-006 1.692220262850888E-006 5.794786978112168E-003 -1.39817568707585 -1.39858283779094 -2.20608610720228 -2.20605824028770 -2.14624335645634 -2.14641573804357 -1.668160428468256E-006 -1.668160428464999E-006 5.794786978277649E-003 -1.39817568707692 -1.39858283778858 -2.20608610720035 -2.20605824028465 -2.14624335645105 -2.14641573802268 -1.668160108714100E-006 -1.668160108711872E-006 5.794786977911175E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.098116571623462E-008 1.098116571623462E-008 -5.597819815766713E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.098126468019097E-008 1.098126468019097E-008 -5.597819815371954E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.335196712530264E-009 5.335196712530264E-009 -5.597819815371427E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.335098783489035E-009 5.335098783489035E-009 -5.597819815766777E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.666744087109518E-006 1.666744087109518E-006 -5.605822591009992E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.666744244805998E-006 1.666744244805998E-006 -5.605822591125066E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.650427981281153E-006 -1.650427981281153E-006 -5.605822588258170E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.650428137208457E-006 -1.650428137208457E-006 -5.605822588143570E-004 =====>>> CPU TIME SUMMARY TOTAL : 572.1 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 2) Finished k-point number 3 with #bands= 458 47) Finished k-point number 48 with #bands= 460 43) Finished k-point number 44 with #bands= 452 27) Finished k-point number 28 with #bands= 452 3) Finished k-point number 4 with #bands= 456 39) Finished k-point number 40 with #bands= 456 1) Finished k-point number 2 with #bands= 456 15) Finished k-point number 16 with #bands= 458 19) Finished k-point number 20 with #bands= 454 4) Finished k-point number 5 with #bands= 454 38) Finished k-point number 39 with #bands= 454 16) Finished k-point number 17 with #bands= 458 37) Finished k-point number 38 with #bands= 454 28) Finished k-point number 29 with #bands= 454 17) Finished k-point number 18 with #bands= 458 23) Finished k-point number 24 with #bands= 458 21) Finished k-point number 22 with #bands= 456 18) Finished k-point number 19 with #bands= 452 44) Finished k-point number 45 with #bands= 452 31) Finished k-point number 32 with #bands= 452 33) Finished k-point number 34 with #bands= 456 48) Finished k-point number 49 with #bands= 464 14) Finished k-point number 15 with #bands= 458 0) Finished k-point number 1 with #bands= 458 5) Finished k-point number 6 with #bands= 454 36) Finished k-point number 37 with #bands= 454 6) Finished k-point number 7 with #bands= 452 20) Finished k-point number 21 with #bands= 452 35) Finished k-point number 36 with #bands= 454 45) Finished k-point number 46 with #bands= 452 34) Finished k-point number 35 with #bands= 456 22) Finished k-point number 23 with #bands= 458 29) Finished k-point number 30 with #bands= 452 46) Finished k-point number 47 with #bands= 456 26) Finished k-point number 27 with #bands= 454 25) Finished k-point number 26 with #bands= 452 24) Finished k-point number 25 with #bands= 454 32) Finished k-point number 33 with #bands= 452 30) Finished k-point number 31 with #bands= 452 11) Finished k-point number 12 with #bands= 452 7) Finished k-point number 8 with #bands= 456 12) Finished k-point number 13 with #bands= 454 42) Finished k-point number 43 with #bands= 452 41) Finished k-point number 42 with #bands= 460 40) Finished k-point number 41 with #bands= 460 8) Finished k-point number 9 with #bands= 456 13) Finished k-point number 14 with #bands= 452 10) Finished k-point number 11 with #bands= 458 9) Finished k-point number 10 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745170652849495 0.745170652849495 0.760982780958087 0.760982780958087 0.760560977182160 0.760560977182160 7.898040276337539E-009 7.898040276337539E-009 -4.241243169568554E-004 0.745170652850957 0.745170652849523 0.760982780958087 0.760982780958087 0.760560977182160 0.760560977182160 7.897716280070522E-009 7.897716280070522E-009 -4.241243169190693E-004 0.745170652850954 0.745170652849523 0.760982780958088 0.760982780958088 0.760560977182160 0.760560977182159 4.260083581510301E-009 4.260083581510301E-009 -4.241243169188544E-004 0.745170652849496 0.745170652849496 0.760982780958088 0.760982780958088 0.760560977182160 0.760560977182160 4.260406014192768E-009 4.260406014192768E-009 -4.241243169566561E-004 0.745168640568440 0.745168640565337 0.760983968367759 0.760983968367759 0.760560863688705 0.760560863688705 -8.031716376720738E-007 -8.031716376720738E-007 -4.260840937550238E-004 0.745168640565264 0.745168640565264 0.760983968367759 0.760983968367759 0.760560863688705 0.760560863688705 -8.031705239444667E-007 -8.031705239444667E-007 -4.260840937812387E-004 0.745168640565265 0.745168640565265 0.760983968367713 0.760983968367713 0.760560863688761 0.760560863688761 8.153289666921596E-007 8.153289666921596E-007 -4.260840939229548E-004 0.745168640568442 0.745168640565338 0.760983968367713 0.760983968367713 0.760560863688761 0.760560863688761 8.153278529389543E-007 8.153278529389543E-007 -4.260840938967165E-004 2) Finished k-point number 3 with #bands= 458 39) Finished k-point number 40 with #bands= 456 35) Finished k-point number 36 with #bands= 454 5) Finished k-point number 6 with #bands= 454 4) Finished k-point number 5 with #bands= 454 38) Finished k-point number 39 with #bands= 454 1) Finished k-point number 2 with #bands= 456 0) Finished k-point number 1 with #bands= 458 3) Finished k-point number 4 with #bands= 456 36) Finished k-point number 37 with #bands= 454 28) Finished k-point number 29 with #bands= 454 31) Finished k-point number 32 with #bands= 452 32) Finished k-point number 33 with #bands= 452 48) Finished k-point number 49 with #bands= 464 33) Finished k-point number 34 with #bands= 456 34) Finished k-point number 35 with #bands= 456 25) Finished k-point number 26 with #bands= 452 30) Finished k-point number 31 with #bands= 452 27) Finished k-point number 28 with #bands= 452 11) Finished k-point number 12 with #bands= 452 37) Finished k-point number 38 with #bands= 454 22) Finished k-point number 23 with #bands= 458 18) Finished k-point number 19 with #bands= 452 13) Finished k-point number 14 with #bands= 452 29) Finished k-point number 30 with #bands= 452 47) Finished k-point number 48 with #bands= 460 26) Finished k-point number 27 with #bands= 454 40) Finished k-point number 41 with #bands= 460 21) Finished k-point number 22 with #bands= 456 24) Finished k-point number 25 with #bands= 454 46) Finished k-point number 47 with #bands= 456 23) Finished k-point number 24 with #bands= 458 43) Finished k-point number 44 with #bands= 452 8) Finished k-point number 9 with #bands= 456 45) Finished k-point number 46 with #bands= 452 17) Finished k-point number 18 with #bands= 458 14) Finished k-point number 15 with #bands= 458 7) Finished k-point number 8 with #bands= 456 9) Finished k-point number 10 with #bands= 458 44) Finished k-point number 45 with #bands= 452 12) Finished k-point number 13 with #bands= 454 15) Finished k-point number 16 with #bands= 458 10) Finished k-point number 11 with #bands= 458 6) Finished k-point number 7 with #bands= 452 20) Finished k-point number 21 with #bands= 452 41) Finished k-point number 42 with #bands= 460 19) Finished k-point number 20 with #bands= 454 42) Finished k-point number 43 with #bands= 452 16) Finished k-point number 17 with #bands= 458 Eimp= -1.39591246081140 -1.39632062744680 -2.20342525404825 -2.20339753062513 -2.14424264893670 -2.14441529027360 7.349547102748379E-009 7.349547100237425E-009 6.073515015325348E-003 -1.39591246081302 -1.39632062744440 -2.20342525404632 -2.20339753062207 -2.14424264888243 -2.14441529022135 7.349849230207457E-009 7.349849239842739E-009 6.073515015015601E-003 -1.39591246081302 -1.39632062744440 -2.20342525404632 -2.20339753062208 -2.14424264888243 -2.14441529022136 1.666648330116148E-008 1.666648330797863E-008 6.073515015014782E-003 -1.39591246081140 -1.39632062744680 -2.20342525404825 -2.20339753062513 -2.14424264893670 -2.14441529027360 1.666618112911383E-008 1.666618113091025E-008 6.073515015324968E-003 -1.39589424863233 -1.39630241858734 -2.20343009576749 -2.20340241188867 -2.14423218366864 -2.14440473225436 -1.103172096398413E-006 -1.103172096410232E-006 6.069148298164392E-003 -1.39589424862747 -1.39630241858970 -2.20343009576944 -2.20340241189173 -2.14423218365935 -2.14440473227609 -1.103172406349892E-006 -1.103172406355626E-006 6.069148298458801E-003 -1.39589424862747 -1.39630241858970 -2.20343009576919 -2.20340241189148 -2.14423218365964 -2.14440473227638 1.127192723631365E-006 1.127192723632345E-006 6.069148298349099E-003 -1.39589424863233 -1.39630241858734 -2.20343009576725 -2.20340241188843 -2.14423218366893 -2.14440473225465 1.127193033608866E-006 1.127193033610746E-006 6.069148298054764E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.059896849802541E-008 1.059896849802541E-008 -5.632197648401706E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.059853370505214E-008 1.059853370505214E-008 -5.632197647899813E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.716923455808143E-009 5.716923455808143E-009 -5.632197647896983E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 5.717356147868370E-009 5.717356147868370E-009 -5.632197648399024E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.077838752124445E-006 -1.077838752124445E-006 -5.658225908993729E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -1.077837257527817E-006 -1.077837257527817E-006 -5.658225909342166E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.094153621486666E-006 1.094153621486666E-006 -5.658225911224191E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.094152126847061E-006 1.094152126847061E-006 -5.658225910875531E-004 =====>>> CPU TIME SUMMARY TOTAL : 603.9 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 19) Finished k-point number 20 with #bands= 454 45) Finished k-point number 46 with #bands= 452 25) Finished k-point number 26 with #bands= 452 23) Finished k-point number 24 with #bands= 458 0) Finished k-point number 1 with #bands= 458 39) Finished k-point number 40 with #bands= 456 6) Finished k-point number 7 with #bands= 452 16) Finished k-point number 17 with #bands= 458 38) Finished k-point number 39 with #bands= 454 43) Finished k-point number 44 with #bands= 452 26) Finished k-point number 27 with #bands= 454 20) Finished k-point number 21 with #bands= 452 5) Finished k-point number 6 with #bands= 454 8) Finished k-point number 9 with #bands= 456 22) Finished k-point number 23 with #bands= 458 28) Finished k-point number 29 with #bands= 454 27) Finished k-point number 28 with #bands= 452 47) Finished k-point number 48 with #bands= 460 46) Finished k-point number 47 with #bands= 456 33) Finished k-point number 34 with #bands= 456 17) Finished k-point number 18 with #bands= 458 35) Finished k-point number 36 with #bands= 454 37) Finished k-point number 38 with #bands= 454 32) Finished k-point number 33 with #bands= 452 14) Finished k-point number 15 with #bands= 458 1) Finished k-point number 2 with #bands= 456 29) Finished k-point number 30 with #bands= 452 21) Finished k-point number 22 with #bands= 456 7) Finished k-point number 8 with #bands= 456 24) Finished k-point number 25 with #bands= 454 4) Finished k-point number 5 with #bands= 454 44) Finished k-point number 45 with #bands= 452 18) Finished k-point number 19 with #bands= 452 10) Finished k-point number 11 with #bands= 458 2) Finished k-point number 3 with #bands= 458 15) Finished k-point number 16 with #bands= 458 34) Finished k-point number 35 with #bands= 456 3) Finished k-point number 4 with #bands= 456 11) Finished k-point number 12 with #bands= 452 13) Finished k-point number 14 with #bands= 452 30) Finished k-point number 31 with #bands= 452 31) Finished k-point number 32 with #bands= 452 41) Finished k-point number 42 with #bands= 460 48) Finished k-point number 49 with #bands= 464 9) Finished k-point number 10 with #bands= 458 36) Finished k-point number 37 with #bands= 454 40) Finished k-point number 41 with #bands= 460 42) Finished k-point number 43 with #bands= 452 12) Finished k-point number 13 with #bands= 454 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745197303570906 0.745197303570906 0.761009648385516 0.761009648385516 0.760584735046678 0.760584735046678 5.913370617965000E-009 5.913370617965000E-009 -4.237900326416527E-004 0.745197303572588 0.745197303570924 0.761009648385516 0.761009648385516 0.760584735046678 0.760584735046678 5.912921664621338E-009 5.912921664621338E-009 -4.237900326258486E-004 0.745197303572589 0.745197303570924 0.761009648385516 0.761009648385516 0.760584735046678 0.760584735046678 6.244952876653040E-009 6.244952876653040E-009 -4.237900326258405E-004 0.745197303570906 0.745197303570906 0.761009648385516 0.761009648385516 0.760584735046678 0.760584735046678 6.245402514820931E-009 6.245402514820931E-009 -4.237900326416651E-004 0.745198435778312 0.745198435774646 0.761011507858766 0.761011507858766 0.760586280579701 0.760586280579701 7.240061006189115E-007 7.240061006189115E-007 -4.225789150711824E-004 0.745198435774563 0.745198435774563 0.761011507858766 0.761011507858766 0.760586280579701 0.760586280579701 7.240074849627479E-007 7.240074849627479E-007 -4.225789150796225E-004 0.745198435774561 0.745198435774562 0.761011507858807 0.761011507858807 0.760586280579651 0.760586280579651 -7.118483029174356E-007 -7.118483029174356E-007 -4.225789149538863E-004 0.745198435778319 0.745198435774645 0.761011507858807 0.761011507858807 0.760586280579651 0.760586280579651 -7.118496914364049E-007 -7.118496914364049E-007 -4.225789149452701E-004 30) Finished k-point number 31 with #bands= 452 4) Finished k-point number 5 with #bands= 454 34) Finished k-point number 35 with #bands= 456 39) Finished k-point number 40 with #bands= 456 37) Finished k-point number 38 with #bands= 454 3) Finished k-point number 4 with #bands= 456 5) Finished k-point number 6 with #bands= 454 36) Finished k-point number 37 with #bands= 454 38) Finished k-point number 39 with #bands= 454 35) Finished k-point number 36 with #bands= 454 1) Finished k-point number 2 with #bands= 456 31) Finished k-point number 32 with #bands= 452 2) Finished k-point number 3 with #bands= 458 32) Finished k-point number 33 with #bands= 452 0) Finished k-point number 1 with #bands= 458 48) Finished k-point number 49 with #bands= 464 33) Finished k-point number 34 with #bands= 456 22) Finished k-point number 23 with #bands= 458 46) Finished k-point number 47 with #bands= 456 18) Finished k-point number 19 with #bands= 452 29) Finished k-point number 30 with #bands= 452 43) Finished k-point number 44 with #bands= 452 7) Finished k-point number 8 with #bands= 456 24) Finished k-point number 25 with #bands= 454 6) Finished k-point number 7 with #bands= 452 20) Finished k-point number 21 with #bands= 452 23) Finished k-point number 24 with #bands= 458 42) Finished k-point number 43 with #bands= 452 27) Finished k-point number 28 with #bands= 452 19) Finished k-point number 20 with #bands= 454 13) Finished k-point number 14 with #bands= 452 28) Finished k-point number 29 with #bands= 454 47) Finished k-point number 48 with #bands= 460 41) Finished k-point number 42 with #bands= 460 12) Finished k-point number 13 with #bands= 454 10) Finished k-point number 11 with #bands= 458 26) Finished k-point number 27 with #bands= 454 11) Finished k-point number 12 with #bands= 452 25) Finished k-point number 26 with #bands= 452 45) Finished k-point number 46 with #bands= 452 17) Finished k-point number 18 with #bands= 458 21) Finished k-point number 22 with #bands= 456 40) Finished k-point number 41 with #bands= 460 9) Finished k-point number 10 with #bands= 458 44) Finished k-point number 45 with #bands= 452 8) Finished k-point number 9 with #bands= 456 15) Finished k-point number 16 with #bands= 458 16) Finished k-point number 17 with #bands= 458 14) Finished k-point number 15 with #bands= 458 Eimp= -1.39771132918720 -1.39811883938063 -2.20553675355155 -2.20550910042359 -2.14588469880412 -2.14605708313788 1.470663706460529E-008 1.470663707448876E-008 5.882224613209226E-003 -1.39771132918926 -1.39811883937822 -2.20553675354960 -2.20550910042054 -2.14588469877547 -2.14605708308450 1.470694784441640E-008 1.470694785905907E-008 5.882224612868422E-003 -1.39771132918926 -1.39811883937821 -2.20553675354960 -2.20550910042054 -2.14588469877547 -2.14605708308450 9.341005670547087E-009 9.341005657372537E-009 5.882224612868606E-003 -1.39771132918720 -1.39811883938063 -2.20553675355155 -2.20550910042359 -2.14588469880412 -2.14605708313788 9.340694840682514E-009 9.340694832455624E-009 5.882224613209704E-003 -1.39767057456702 -1.39807808452724 -2.20549400240210 -2.20546628839742 -2.14584203719975 -2.14601443812252 9.999926508200996E-007 9.999926508181101E-007 5.886035491752301E-003 -1.39767057456109 -1.39807808452960 -2.20549400240406 -2.20546628840048 -2.14584203719371 -2.14601443814130 9.999923154457811E-007 9.999923154173843E-007 5.886035492076720E-003 -1.39767057456109 -1.39807808452960 -2.20549400240427 -2.20546628840069 -2.14584203719345 -2.14601443814104 -9.759408410478212E-007 -9.759408410403919E-007 5.886035492173498E-003 -1.39767057456704 -1.39807808452724 -2.20549400240232 -2.20546628839764 -2.14584203719948 -2.14601443812226 -9.759405056817602E-007 -9.759405056790184E-007 5.886035491850575E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.935308662713268E-009 7.935308662713268E-009 -5.627558511699081E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 7.934706196823698E-009 7.934706196823698E-009 -5.627558511489114E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.380267677041722E-009 8.380267677041722E-009 -5.627558511489009E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 8.380871055176799E-009 8.380871055176799E-009 -5.627558511699226E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.715614873272202E-007 9.715614873272202E-007 -5.611464818226532E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.715633450158072E-007 9.715633450158072E-007 -5.611464818338980E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -9.552466413513944E-007 -9.552466413513944E-007 -5.611464816669102E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -9.552485046407984E-007 -9.552485046407984E-007 -5.611464816554389E-004 =====>>> CPU TIME SUMMARY TOTAL : 621.3 nargs= 1 argi=dmft1.def mode=g EF= 7.9253180 34) Finished k-point number 35 with #bands= 456 31) Finished k-point number 32 with #bands= 452 44) Finished k-point number 45 with #bands= 452 29) Finished k-point number 30 with #bands= 452 33) Finished k-point number 34 with #bands= 456 35) Finished k-point number 36 with #bands= 454 37) Finished k-point number 38 with #bands= 454 36) Finished k-point number 37 with #bands= 454 42) Finished k-point number 43 with #bands= 452 10) Finished k-point number 11 with #bands= 458 2) Finished k-point number 3 with #bands= 458 0) Finished k-point number 1 with #bands= 458 6) Finished k-point number 7 with #bands= 452 11) Finished k-point number 12 with #bands= 452 19) Finished k-point number 20 with #bands= 454 3) Finished k-point number 4 with #bands= 456 7) Finished k-point number 8 with #bands= 456 48) Finished k-point number 49 with #bands= 464 20) Finished k-point number 21 with #bands= 452 41) Finished k-point number 42 with #bands= 460 25) Finished k-point number 26 with #bands= 452 1) Finished k-point number 2 with #bands= 456 46) Finished k-point number 47 with #bands= 456 28) Finished k-point number 29 with #bands= 454 30) Finished k-point number 31 with #bands= 452 32) Finished k-point number 33 with #bands= 452 5) Finished k-point number 6 with #bands= 454 4) Finished k-point number 5 with #bands= 454 45) Finished k-point number 46 with #bands= 452 39) Finished k-point number 40 with #bands= 456 18) Finished k-point number 19 with #bands= 452 47) Finished k-point number 48 with #bands= 460 9) Finished k-point number 10 with #bands= 458 24) Finished k-point number 25 with #bands= 454 16) Finished k-point number 17 with #bands= 458 40) Finished k-point number 41 with #bands= 460 15) Finished k-point number 16 with #bands= 458 38) Finished k-point number 39 with #bands= 454 13) Finished k-point number 14 with #bands= 452 12) Finished k-point number 13 with #bands= 454 17) Finished k-point number 18 with #bands= 458 21) Finished k-point number 22 with #bands= 456 8) Finished k-point number 9 with #bands= 456 27) Finished k-point number 28 with #bands= 452 23) Finished k-point number 24 with #bands= 458 43) Finished k-point number 44 with #bands= 452 14) Finished k-point number 15 with #bands= 458 26) Finished k-point number 27 with #bands= 454 22) Finished k-point number 23 with #bands= 458 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.745124287121813 0.745124287121813 0.760939310647764 0.760939310647764 0.760518549813293 0.760518549813293 4.950513971588651E-009 4.950513971588651E-009 -4.273016399456472E-004 0.745124287120052 0.745124287121771 0.760939310647764 0.760939310647764 0.760518549813293 0.760518549813293 4.951696613655576E-009 4.951696613655576E-009 -4.273016399333612E-004 0.745124287120053 0.745124287121771 0.760939310647764 0.760939310647764 0.760518549813293 0.760518549813293 7.207757365279411E-009 7.207757365279411E-009 -4.273016399333978E-004 0.745124287121813 0.745124287121813 0.760939310647764 0.760939310647764 0.760518549813293 0.760518549813293 7.206575440474531E-009 7.206575440474531E-009 -4.273016399457539E-004 0.745129371712408 0.745129371710824 0.760939530597307 0.760939530597307 0.760521188375608 0.760521188375608 1.591990160654379E-006 1.591990160654379E-006 -4.275513872915984E-004 0.745129371710790 0.745129371710790 0.760939530597307 0.760939530597307 0.760521188375608 0.760521188375608 1.591990553112666E-006 1.591990553112666E-006 -4.275513872885155E-004 0.745129371710787 0.745129371710787 0.760939530597397 0.760939530597397 0.760521188375498 0.760521188375498 -1.579833130730668E-006 -1.579833130730668E-006 -4.275513870110325E-004 0.745129371712403 0.745129371710821 0.760939530597397 0.760939530597397 0.760521188375498 0.760521188375498 -1.579833522205274E-006 -1.579833522205274E-006 -4.275513870141238E-004 39) Finished k-point number 40 with #bands= 456 2) Finished k-point number 3 with #bands= 458 36) Finished k-point number 37 with #bands= 454 0) Finished k-point number 1 with #bands= 458 37) Finished k-point number 38 with #bands= 454 31) Finished k-point number 32 with #bands= 452 4) Finished k-point number 5 with #bands= 454 48) Finished k-point number 49 with #bands= 464 30) Finished k-point number 31 with #bands= 452 33) Finished k-point number 34 with #bands= 456 28) Finished k-point number 29 with #bands= 454 32) Finished k-point number 33 with #bands= 452 35) Finished k-point number 36 with #bands= 454 21) Finished k-point number 22 with #bands= 456 38) Finished k-point number 39 with #bands= 454 24) Finished k-point number 25 with #bands= 454 5) Finished k-point number 6 with #bands= 454 29) Finished k-point number 30 with #bands= 452 3) Finished k-point number 4 with #bands= 456 13) Finished k-point number 14 with #bands= 452 1) Finished k-point number 2 with #bands= 456 25) Finished k-point number 26 with #bands= 452 47) Finished k-point number 48 with #bands= 460 46) Finished k-point number 47 with #bands= 456 44) Finished k-point number 45 with #bands= 452 34) Finished k-point number 35 with #bands= 456 18) Finished k-point number 19 with #bands= 452 23) Finished k-point number 24 with #bands= 458 26) Finished k-point number 27 with #bands= 454 22) Finished k-point number 23 with #bands= 458 12) Finished k-point number 13 with #bands= 454 27) Finished k-point number 28 with #bands= 452 15) Finished k-point number 16 with #bands= 458 19) Finished k-point number 20 with #bands= 454 41) Finished k-point number 42 with #bands= 460 16) Finished k-point number 17 with #bands= 458 20) Finished k-point number 21 with #bands= 452 6) Finished k-point number 7 with #bands= 452 14) Finished k-point number 15 with #bands= 458 43) Finished k-point number 44 with #bands= 452 8) Finished k-point number 9 with #bands= 456 9) Finished k-point number 10 with #bands= 458 11) Finished k-point number 12 with #bands= 452 45) Finished k-point number 46 with #bands= 452 40) Finished k-point number 41 with #bands= 460 17) Finished k-point number 18 with #bands= 458 42) Finished k-point number 43 with #bands= 452 10) Finished k-point number 11 with #bands= 458 7) Finished k-point number 8 with #bands= 456 Eimp= -1.39271707654649 -1.39312436222993 -2.19994709261000 -2.19991943792873 -2.14116424609030 -2.14133639431460 1.675194620265076E-008 1.675194622129616E-008 6.252651231327831E-003 -1.39271707654209 -1.39312436222739 -2.19994709260804 -2.19991943792569 -2.14116424604751 -2.14133639425980 1.675225874441673E-008 1.675225874821400E-008 6.252651231011158E-003 -1.39271707654209 -1.39312436222739 -2.19994709260805 -2.19991943792568 -2.14116424604751 -2.14133639425980 7.210398816821279E-009 7.210398813306289E-009 6.252651231010603E-003 -1.39271707654649 -1.39312436222993 -2.19994709260999 -2.19991943792873 -2.14116424609030 -2.14133639431460 7.210086277055871E-009 7.210086280946374E-009 6.252651231328001E-003 -1.39267418013948 -1.39308148126583 -2.19987063331433 -2.19984293138317 -2.14109874773644 -2.14127092319391 2.177233693510673E-006 2.177233693504324E-006 6.251213618192964E-003 -1.39267418013754 -1.39308148126821 -2.19987063331630 -2.19984293138622 -2.14109874771162 -2.14127092320042 2.177233400550126E-006 2.177233400559194E-006 6.251213618512652E-003 -1.39267418013754 -1.39308148126822 -2.19987063331678 -2.19984293138670 -2.14109874771105 -2.14127092319985 -2.153264966297120E-006 -2.153264966299278E-006 6.251213618725843E-003 -1.39267418013947 -1.39308148126583 -2.19987063331481 -2.19984293138365 -2.14109874773586 -2.14127092319334 -2.153264673315200E-006 -2.153264673307263E-006 6.251213618405955E-003 final Z due to interstitals= 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.643876804290126E-009 6.643876804290126E-009 -5.674729826403064E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 6.645463978029338E-009 6.645463978029338E-009 -5.674729826240029E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.673228333216653E-009 9.673228333216653E-009 -5.674729826240539E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 9.671642118828813E-009 9.671642118828813E-009 -5.674729826404455E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.136528529265537E-006 2.136528529265537E-006 -5.678026373556777E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 2.136529055965645E-006 2.136529055965645E-006 -5.678026373515979E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.120213201504123E-006 -2.120213201504123E-006 -5.678026369830562E-004 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 1.00000000000000 -2.120213726877467E-006 -2.120213726877467E-006 -5.678026369871494E-004 =====>>> CPU TIME SUMMARY TOTAL : 589.9