-------------------------------------------------- S T R U C T U R A L I N F O R M A T I O N -------------------------------------------------- SUBSTANCE = URu2Si2 LATTICE = B LATTICE CONSTANTS ARE = 7.7932000 7.7932000 18.0594000 NUMBER OF ATOMS IN UNITCELL = 3 MODE OF CALCULATION IS = RELA spin-orbit coupling included :POS01: AT.NR. -1 POSITION = 0.00000 0.00000 0.00000 MULTIPLICITY = 1 NOT EQUIV ATOM U 1 EQUIV ATOM 1 POSITION: 0.000 0.000 0.000 ATOMIC PARAMETERS FOR U 1 ENERGY PARAMETERS ARE 0.59 0.69 0.71 0.82 0.67 0.67 0.67 ENERGY PARAMETERS ARE 0.67 0.67 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 0.538985E+00 0.356290E+00 0.109254E-01 -0.289631E+00 0.477959E-01 6 6 6 1 -0.104818E+00 -0.629751E+00 -0.278059E+00 -0.143982E+00 0.159307E+00 5 5 5 2 -0.455567E+00 0.606011E-01 0.126066E+00 0.334473E+00 0.246167E-01 3 3 3 3 -0.204983E+00 0.112050E+00 0.462205E+00 0.528093E+00 0.443483E+00 1 1 1 4 0.738307E+00 0.883354E+00 -0.562251E-01 -0.283986E+00 0.454829E-02 0 0 0 5 0.850203E+00 0.145139E+01 -0.365876E-01 -0.250647E+00 0.144342E-02 0 0 0 6 0.935395E+00 0.202646E+01 -0.277973E-01 -0.231264E+00 0.705182E-03 0 0 0 7 0.100897E+01 0.262827E+01 -0.223983E-01 -0.216910E+00 0.402348E-03 0 0 0 8 0.107537E+01 0.326075E+01 -0.186773E-01 -0.205401E+00 0.250987E-03 0 0 0 0 -0.122466E+00 0.228908E+00 0.398209E+00 0.562138E+00 0.261309E+00 5 5 5 1 0.230660E+00 -0.279020E+00 -0.250973E+00 -0.390113E+00 0.104397E+00 4 4 4 LO COEFFICIENT: l,A,B,C 0 0.09232 -4.55456 0.00000 LO COEFFICIENT: l,A,B,C 0 0.20614 0.00000 0.90723 LO COEFFICIENT: l,A,B,C 1 0.98887 -0.37277 0.00000 LO COEFFICIENT: l,A,B,C 1 0.70262 0.00000 0.31929 LO COEFFICIENT: l,A,B,C 2 0.86990 3.14360 0.00000 LO COEFFICIENT: l,A,B,C 3 0.95905 0.42533 0.00000 ATOMNUMBER: 1 L Duu1 Dupu1 Duup1 Dupup1 1 0.22099E+01 -0.34780E+00 0.18830E-01 0.14804E+00 2 0.19498E+01 0.64647E-02 0.66623E+00 0.27686E-01 3 0.86534E+00 0.33841E+00 -0.12028E+00 0.34799E+00 4 0.50568E+00 0.34276E-01 0.10614E+01 0.32040E-01 5 0.12235E+01 0.83969E-02 -0.28529E+00 0.22332E-02 6 0.17980E+01 0.76286E-02 -0.21038E+00 0.17841E-02 7 0.22841E+01 0.62902E-02 -0.17377E+00 0.12620E-02 8 0.27382E+01 0.52175E-02 -0.14977E+00 0.91708E-03 L Duu2 Dupu2 Duup2 Dupup2 1 -0.13967E+01 -0.29813E+00 -0.18895E+00 -0.13824E+00 2 -0.65450E+00 -0.10993E+00 0.96929E-01 -0.20583E+00 3 -0.61943E+00 -0.65269E-01 -0.10761E+01 -0.16309E-01 4 -0.78952E+00 0.64063E+00 0.10018E+00 -0.17245E+00 5 0.18165E+01 -0.10449E-01 -0.18651E+00 0.80371E-02 6 0.23057E+01 -0.29764E-02 -0.15977E+00 0.35850E-02 7 0.27585E+01 -0.13548E-02 -0.13991E+00 0.21226E-02 8 0.31946E+01 -0.72845E-03 -0.12479E+00 0.14018E-02 L Ruu Rupu Ruup Rupup 1 -0.58243E+00 0.13600E+00 -0.19985E+00 -0.14396E-01 2 -0.49818E+00 0.11772E+00 -0.92945E-01 -0.20463E-01 3 0.16894E+00 0.12030E-01 -0.28911E+00 0.16252E-01 4 -0.33100E+00 0.21536E+00 -0.31207E-01 -0.11011E-01 5 0.44154E+00 -0.15200E-02 0.46314E-02 0.12936E-02 6 0.43332E+00 -0.28278E-03 0.22010E-02 0.49394E-03 7 0.42799E+00 -0.97723E-04 0.13163E-02 0.25369E-03 8 0.42424E+00 -0.42049E-04 0.87278E-03 0.14828E-03 L Duul1 Duul2 Dulup1 Dulup2 1 0.12491E+01 -0.11656E+00 -0.14415E+00 0.47281E+00 2 0.97876E+00 0.00000E+00 0.00000E+00 0.30927E+00 3 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 L Dupul1 Dupul2 Dulu1 Dulu2 1 -0.22793E+00 -0.11656E+00 0.23653E+01 0.53026E+00 2 -0.42589E-02 0.00000E+00 0.00000E+00 -0.47907E+00 3 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 L Dulul1 Dulul2 Ruul Rulu 1 0.13695E+01 -0.33659E-01 -0.84885E+00 -0.31753E+00 2 0.00000E+00 0.00000E+00 -0.57803E+00 0.00000E+00 3 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 L Rupul Rulup Rulul 1 -0.15937E-01 0.13817E+00 -0.75563E+00 2 -0.61601E-01 0.00000E+00 0.00000E+00 3 0.00000E+00 0.00000E+00 0.00000E+00 CPUTIM FOR ATOMIC INTEGRALS . 0.01 :POS02: AT.NR. -2 POSITION = 0.00000 0.50000 0.25000 MULTIPLICITY = 2 NOT EQUIV ATOM Ru1 EQUIV ATOM 1 POSITION: 0.000 0.500 0.250 EQUIV ATOM 2 POSITION: 0.500 0.000 0.250 ATOMIC PARAMETERS FOR Ru1 ENERGY PARAMETERS ARE 0.58 0.71 0.69 0.67 0.67 0.67 0.67 ENERGY PARAMETERS ARE 0.67 0.67 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 0.554621E+00 -0.136190E-01 -0.901092E-01 -0.321518E+00 0.121663E-01 4 4 4 1 -0.606645E+00 -0.272199E+00 0.389679E-01 0.313470E+00 0.269835E-01 3 3 3 2 -0.261561E+00 0.189756E+00 0.337624E+00 0.441590E+00 0.195061E+00 1 1 1 3 0.714113E+00 0.634955E+00 -0.773403E-01 -0.320197E+00 0.890103E-02 0 0 0 4 0.857029E+00 0.123927E+01 -0.438356E-01 -0.272883E+00 0.195969E-02 0 0 0 5 0.955711E+00 0.184224E+01 -0.321338E-01 -0.249801E+00 0.872933E-03 0 0 0 6 0.103953E+01 0.248042E+01 -0.253582E-01 -0.233213E+00 0.472531E-03 0 0 0 7 0.111473E+01 0.315848E+01 -0.208291E-01 -0.220067E+00 0.283856E-03 0 0 0 8 0.118394E+01 0.387661E+01 -0.175685E-01 -0.209153E+00 0.182590E-03 0 0 0 0 -0.576950E-01 0.961130E-01 0.924424E+00 0.157181E+01 0.110581E+01 3 3 3 1 0.720118E-01 -0.181660E+00 -0.645395E+00 -0.865393E+00 0.618137E+00 2 2 2 2 -0.391451E+00 -0.489346E-02 0.270956E+00 0.462096E+00 0.128703E+00 1 1 1 LO COEFFICIENT: l,A,B,C 0 0.82735 5.09232 0.00000 LO COEFFICIENT: l,A,B,C 0 0.10285 0.00000 0.98873 LO COEFFICIENT: l,A,B,C 1 0.36419 5.66960 0.00000 LO COEFFICIENT: l,A,B,C 1 0.11461 0.00000 0.96551 LO COEFFICIENT: l,A,B,C 2 0.94615 0.73299 0.00000 LO COEFFICIENT: l,A,B,C 2 2.77858 0.00000 -1.85660 ATOMNUMBER: 2 L Duu1 Dupu1 Duup1 Dupup1 1 0.21726E+00 -0.22420E+00 0.41398E+00 0.75769E-02 2 0.15017E+01 -0.45986E-01 -0.16799E+00 0.15871E+00 3 0.54898E+00 0.11211E-01 0.86394E+00 0.15997E-01 4 0.89228E+00 0.74300E-02 -0.34363E+00 0.15677E-02 5 0.15468E+01 0.85089E-02 -0.22933E+00 0.19648E-02 6 0.20596E+01 0.70670E-02 -0.18462E+00 0.13873E-02 7 0.25346E+01 0.58197E-02 -0.15681E+00 0.99168E-03 8 0.29923E+01 0.48480E-02 -0.13705E+00 0.73053E-03 L Duu2 Dupu2 Duup2 Dupup2 1 -0.71535E+00 -0.12145E+00 0.36497E+00 -0.98821E-02 2 -0.27474E+00 -0.11953E+00 -0.50674E+00 -0.12446E+00 3 -0.68742E+00 0.26161E+00 0.19293E+00 -0.12451E+00 4 0.15645E+01 -0.18178E-01 -0.19676E+00 0.12765E-01 5 0.20859E+01 -0.32300E-02 -0.16797E+00 0.44907E-02 6 0.25591E+01 -0.12254E-02 -0.14550E+00 0.24914E-02 7 0.30146E+01 -0.58002E-03 -0.12864E+00 0.15833E-02 8 0.34607E+01 -0.30656E-03 -0.11548E+00 0.10841E-02 L Ruu Rupu Ruup Rupup 1 -0.68767E+00 0.59726E-02 -0.10213E-01 -0.86242E-02 2 -0.17150E+00 0.11535E+00 -0.29396E+00 0.19510E-01 3 -0.45092E+00 0.10864E+00 -0.45728E-01 -0.18462E-01 4 0.47594E+00 -0.36854E-02 0.74830E-02 0.22752E-02 5 0.46459E+00 -0.39455E-03 0.30261E-02 0.69510E-03 6 0.45731E+00 -0.11355E-03 0.17077E-02 0.33005E-03 7 0.45238E+00 -0.43841E-04 0.10926E-02 0.18367E-03 8 0.44878E+00 -0.19435E-04 0.75158E-03 0.11206E-03 L Duul1 Duul2 Dulup1 Dulup2 1 -0.12242E+00 -0.10269E+00 0.99051E-02 -0.30867E-01 2 0.99244E+00 -0.70747E-01 -0.22648E+00 0.65089E+00 3 0.19343E+00 0.00000E+00 0.00000E+00 0.23821E+00 L Dupul1 Dupul2 Dulu1 Dulu2 1 -0.22940E+00 -0.10269E+00 0.13037E+01 0.15498E+01 2 -0.88368E-01 -0.70747E-01 0.14952E+01 0.59674E+00 3 0.62502E-02 0.00000E+00 0.00000E+00 -0.77806E+00 L Dulul1 Dulul2 Ruul Rulu 1 0.11390E+01 0.11526E+01 -0.61581E+00 -0.25984E+00 2 0.10092E+01 0.34154E+00 -0.84688E+00 -0.57364E-01 3 0.00000E+00 0.00000E+00 -0.48613E+00 0.00000E+00 L Rupul Rulup Rulul 1 0.12382E+00 0.28326E-01 -0.11568E+01 2 -0.21350E+00 0.10612E+00 -0.75375E+00 3 -0.37915E-01 0.00000E+00 0.00000E+00 CPUTIM FOR ATOMIC INTEGRALS . 0.00 :POS03: AT.NR. -3 POSITION = 0.00000 0.00000 0.62730 MULTIPLICITY = 2 NOT EQUIV ATOM Si1 EQUIV ATOM 1 POSITION: 0.000 0.000 0.627 EQUIV ATOM 2 POSITION: 0.000 0.000 0.373 ATOMIC PARAMETERS FOR Si1 ENERGY PARAMETERS ARE 0.67 0.62 0.72 0.67 0.67 0.67 0.67 ENERGY PARAMETERS ARE 0.67 0.67 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 0.434999E+00 -0.433864E+00 -0.164939E+00 -0.361786E+00 0.275532E-01 2 2 2 1 -0.576200E+00 0.125242E+00 0.129446E+00 0.369199E+00 0.172854E-01 1 1 1 2 0.698184E+00 0.256378E+00 -0.107901E+00 -0.367531E+00 0.127218E-01 0 0 0 3 0.910180E+00 0.100379E+01 -0.553915E-01 -0.312615E+00 0.244877E-02 0 0 0 4 0.104410E+01 0.174354E+01 -0.384774E-01 -0.283513E+00 0.974501E-03 0 0 0 5 0.115452E+01 0.253784E+01 -0.293064E-01 -0.262702E+00 0.487059E-03 0 0 0 6 0.125193E+01 0.339160E+01 -0.234584E-01 -0.246398E+00 0.275465E-03 0 0 0 7 0.134059E+01 0.430402E+01 -0.193973E-01 -0.233022E+00 0.168977E-03 0 0 0 8 0.142275E+01 0.527297E+01 -0.164188E-01 -0.221728E+00 0.109934E-03 0 0 0 0 0.503396E+00 -0.273685E+00 -0.149668E+00 -0.373412E+00 0.225404E-01 2 2 2 LO COEFFICIENT: l,A,B,C 0 0.91606 2.41597 0.00000 LO COEFFICIENT: l,A,B,C 0 6.66094 0.00000 -5.75592 LO COEFFICIENT: l,A,B,C 1 0.86307 3.84175 0.00000 LO COEFFICIENT: l,A,B,C 2 0.80775 5.22666 0.00000 ATOMNUMBER: 3 L Duu1 Dupu1 Duup1 Dupup1 1 0.31066E+00 -0.10265E+00 0.49211E+00 -0.25485E-01 2 -0.27686E+00 -0.90037E-01 0.40626E+00 -0.22245E-01 3 0.40408E+00 0.81675E-02 -0.39835E+00 0.91750E-03 4 0.12215E+01 0.98462E-02 -0.24865E+00 0.19722E-02 5 0.18196E+01 0.79706E-02 -0.19278E+00 0.13703E-02 6 0.23651E+01 0.63977E-02 -0.15974E+00 0.95015E-03 7 0.28872E+01 0.52164E-02 -0.13713E+00 0.68017E-03 8 0.33965E+01 0.43274E-02 -0.12045E+00 0.50244E-03 L Duu2 Dupu2 Duup2 Dupup2 1 0.52422E-01 -0.38139E-01 0.42447E+00 -0.35734E-01 2 -0.38354E+00 -0.32347E-03 0.36938E+00 -0.20342E-01 3 0.12614E+01 -0.17029E-01 -0.20221E+00 0.18079E-01 4 0.18590E+01 -0.26653E-02 -0.17181E+00 0.54283E-02 5 0.23989E+01 -0.94704E-03 -0.14634E+00 0.27368E-02 6 0.29167E+01 -0.43529E-03 -0.12756E+00 0.16303E-02 7 0.34227E+01 -0.22606E-03 -0.11320E+00 0.10642E-02 8 0.39216E+01 -0.12384E-03 -0.10183E+00 0.73792E-03 L Ruu Rupu Ruup Rupup 1 -0.72891E+00 -0.19414E-01 -0.37924E-01 -0.16019E-01 2 -0.54841E+00 -0.55813E-02 -0.38793E-02 -0.92104E-02 3 0.55517E+00 -0.68052E-02 0.12551E-01 0.35555E-02 4 0.53527E+00 -0.65950E-03 0.44838E-02 0.95465E-03 5 0.52343E+00 -0.17253E-03 0.23379E-02 0.40933E-03 6 0.51586E+00 -0.62539E-04 0.14131E-02 0.21139E-03 7 0.51055E+00 -0.26589E-04 0.93081E-03 0.12178E-03 8 0.50659E+00 -0.12137E-04 0.64987E-03 0.75601E-04 L Duul1 Duul2 Dulup1 Dulup2 1 0.10354E+00 0.00000E+00 0.00000E+00 0.43825E+00 2 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 3 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 L Dupul1 Dupul2 Dulu1 Dulu2 1 -0.91136E-01 0.00000E+00 0.00000E+00 0.68286E-01 2 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 3 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 L Dulul1 Dulul2 Ruul Rulu 1 0.00000E+00 0.00000E+00 -0.71935E+00 0.00000E+00 2 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 3 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 L Rupul Rulup Rulul 1 -0.31236E-01 0.00000E+00 0.00000E+00 2 0.00000E+00 0.00000E+00 0.00000E+00 3 0.00000E+00 0.00000E+00 0.00000E+00 CPUTIM FOR ATOMIC INTEGRALS . 0.01 K-POINT 1: [ 0.0000 0.0000 0.0000] NEMIN-MAX: 1 104 NE: 104 K-POINT 2: [ 0.0833 0.0833 0.0000] NEMIN-MAX: 1 104 NE: 104 K-POINT 3: [ 0.1667 0.1667 0.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 4: [ 0.2500 0.2500 0.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 5: [ 0.3333 0.3333 0.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 6: [ 0.4167 0.4167 0.0000] NEMIN-MAX: 1 108 NE: 108 K-POINT 7: [ 0.5000 0.5000 0.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 8: [ 0.0833 0.0000 0.0833] NEMIN-MAX: 1 104 NE: 104 K-POINT 9: [ 0.1667 0.0833 0.0833] NEMIN-MAX: 1 106 NE: 106 K-POINT 10: [ 0.2500 0.1667 0.0833] NEMIN-MAX: 1 106 NE: 106 K-POINT 11: [ 0.3333 0.2500 0.0833] NEMIN-MAX: 1 106 NE: 106 K-POINT 12: [ 0.4167 0.3333 0.0833] NEMIN-MAX: 1 106 NE: 106 K-POINT 13: [ 0.5000 0.4167 0.0833] NEMIN-MAX: 1 106 NE: 106 K-POINT 14: [ 0.1667 0.0000 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 15: [ 0.2500 0.0833 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 16: [ 0.3333 0.1667 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 17: [ 0.4167 0.2500 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 18: [ 0.5000 0.3333 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 19: [ 0.5833 0.4167 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 20: [ 1.0833 0.9167 0.1667] NEMIN-MAX: 1 104 NE: 104 K-POINT 21: [ 0.2500 0.0000 0.2500] NEMIN-MAX: 1 106 NE: 106 K-POINT 22: [ 0.3333 0.0833 0.2500] NEMIN-MAX: 1 106 NE: 106 K-POINT 23: [ 0.4167 0.1667 0.2500] NEMIN-MAX: 1 106 NE: 106 K-POINT 24: [ 0.5000 0.2500 0.2500] NEMIN-MAX: 1 104 NE: 104 K-POINT 25: [ 0.5833 0.3333 0.2500] NEMIN-MAX: 1 106 NE: 106 K-POINT 26: [ 1.0833 0.8333 0.2500] NEMIN-MAX: 1 106 NE: 106 K-POINT 27: [ 0.3333 0.0000 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 28: [ 0.4167 0.0833 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 29: [ 0.5000 0.1667 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 30: [ 0.5833 0.2500 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 31: [ 0.6667 0.3333 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 32: [ 1.0833 0.7500 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 33: [ 1.1667 0.8333 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 34: [ 0.4167 0.0000 0.4167] NEMIN-MAX: 1 106 NE: 106 K-POINT 35: [ 0.5000 0.0833 0.4167] NEMIN-MAX: 1 106 NE: 106 K-POINT 36: [ 0.5833 0.1667 0.4167] NEMIN-MAX: 1 104 NE: 104 K-POINT 37: [ 0.6667 0.2500 0.4167] NEMIN-MAX: 1 106 NE: 106 K-POINT 38: [ 1.0833 0.6667 0.4167] NEMIN-MAX: 1 104 NE: 104 K-POINT 39: [ 1.1667 0.7500 0.4167] NEMIN-MAX: 1 104 NE: 104 K-POINT 40: [ 0.5000 0.0000 0.5000] NEMIN-MAX: 1 106 NE: 106 K-POINT 41: [ 0.5833 0.0833 0.5000] NEMIN-MAX: 1 106 NE: 106 K-POINT 42: [ 0.6667 0.1667 0.5000] NEMIN-MAX: 1 104 NE: 104 K-POINT 43: [ 0.7500 0.2500 0.5000] NEMIN-MAX: 1 106 NE: 106 K-POINT 44: [ 0.1667 0.1667 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 45: [ 0.2500 0.2500 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 46: [ 0.3333 0.3333 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 47: [ 0.4167 0.4167 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 48: [ 0.5000 0.5000 0.1667] NEMIN-MAX: 1 106 NE: 106 K-POINT 49: [ 1.0000 1.0000 0.1667] NEMIN-MAX: 1 104 NE: 104 K-POINT 50: [ 0.2500 0.1667 0.2500] NEMIN-MAX: 1 106 NE: 106 K-POINT 51: [ 0.3333 0.2500 0.2500] NEMIN-MAX: 1 106 NE: 106 K-POINT 52: [ 0.4167 0.3333 0.2500] NEMIN-MAX: 1 104 NE: 104 K-POINT 53: [ 0.5000 0.4167 0.2500] NEMIN-MAX: 1 106 NE: 106 K-POINT 54: [ 1.0000 0.9167 0.2500] NEMIN-MAX: 1 104 NE: 104 K-POINT 55: [ 0.3333 0.1667 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 56: [ 0.4167 0.2500 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 57: [ 0.5000 0.3333 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 58: [ 0.5833 0.4167 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 59: [ 1.0000 0.8333 0.3333] NEMIN-MAX: 1 104 NE: 104 K-POINT 60: [ 1.0833 0.9167 0.3333] NEMIN-MAX: 1 104 NE: 104 K-POINT 61: [ 0.4167 0.1667 0.4167] NEMIN-MAX: 1 104 NE: 104 K-POINT 62: [ 0.5000 0.2500 0.4167] NEMIN-MAX: 1 104 NE: 104 K-POINT 63: [ 0.5833 0.3333 0.4167] NEMIN-MAX: 1 106 NE: 106 K-POINT 64: [ 1.0000 0.7500 0.4167] NEMIN-MAX: 1 106 NE: 106 K-POINT 65: [ 1.0833 0.8333 0.4167] NEMIN-MAX: 1 106 NE: 106 K-POINT 66: [ 0.5000 0.1667 0.5000] NEMIN-MAX: 1 106 NE: 106 K-POINT 67: [ 0.5833 0.2500 0.5000] NEMIN-MAX: 1 106 NE: 106 K-POINT 68: [ 0.6667 0.3333 0.5000] NEMIN-MAX: 1 106 NE: 106 K-POINT 69: [ 1.0000 0.6667 0.5000] NEMIN-MAX: 1 106 NE: 106 K-POINT 70: [ 1.0833 0.7500 0.5000] NEMIN-MAX: 1 106 NE: 106 K-POINT 71: [ 1.1667 0.8333 0.5000] NEMIN-MAX: 1 104 NE: 104 K-POINT 72: [ 0.6667 0.2500 0.5833] NEMIN-MAX: 1 106 NE: 106 K-POINT 73: [ 1.0000 0.5833 0.5833] NEMIN-MAX: 1 106 NE: 106 K-POINT 74: [ 1.0833 0.6667 0.5833] NEMIN-MAX: 1 104 NE: 104 K-POINT 75: [ 1.1667 0.7500 0.5833] NEMIN-MAX: 1 104 NE: 104 K-POINT 76: [ 0.7500 0.2500 0.6667] NEMIN-MAX: 1 106 NE: 106 K-POINT 77: [ 1.0000 0.5000 0.6667] NEMIN-MAX: 1 106 NE: 106 K-POINT 78: [ 1.0833 0.5833 0.6667] NEMIN-MAX: 1 106 NE: 106 K-POINT 79: [ 1.1667 0.6667 0.6667] NEMIN-MAX: 1 104 NE: 104 K-POINT 80: [ 1.2500 0.7500 0.6667] NEMIN-MAX: 1 104 NE: 104 K-POINT 81: [ 1.0000 0.4167 0.7500] NEMIN-MAX: 1 108 NE: 108 K-POINT 82: [ 1.0833 0.5000 0.7500] NEMIN-MAX: 1 106 NE: 106 K-POINT 83: [ 1.1667 0.5833 0.7500] NEMIN-MAX: 1 104 NE: 104 K-POINT 84: [ 1.2500 0.6667 0.7500] NEMIN-MAX: 1 104 NE: 104 K-POINT 85: [ 1.0000 0.3333 0.8333] NEMIN-MAX: 1 108 NE: 108 K-POINT 86: [ 1.0833 0.4167 0.8333] NEMIN-MAX: 1 108 NE: 108 K-POINT 87: [ 1.1667 0.5000 0.8333] NEMIN-MAX: 1 106 NE: 106 K-POINT 88: [ 1.2500 0.5833 0.8333] NEMIN-MAX: 1 106 NE: 106 K-POINT 89: [ 1.3333 0.6667 0.8333] NEMIN-MAX: 1 104 NE: 104 K-POINT 90: [ 1.0000 0.2500 0.9167] NEMIN-MAX: 1 106 NE: 106 K-POINT 91: [ 1.0833 0.3333 0.9167] NEMIN-MAX: 1 106 NE: 106 K-POINT 92: [ 1.1667 0.4167 0.9167] NEMIN-MAX: 1 106 NE: 106 K-POINT 93: [ 1.2500 0.5000 0.9167] NEMIN-MAX: 1 106 NE: 106 K-POINT 94: [ 1.3333 0.5833 0.9167] NEMIN-MAX: 1 106 NE: 106 K-POINT 95: [ 1.0000 0.1667 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 96: [ 1.0833 0.2500 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 97: [ 1.1667 0.3333 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 98: [ 1.2500 0.4167 1.0000] NEMIN-MAX: 1 108 NE: 108 K-POINT 99: [ 1.3333 0.5000 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 100: [ 1.4167 0.5833 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 101: [ 0.3333 0.3333 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 102: [ 0.4167 0.4167 0.3333] NEMIN-MAX: 1 104 NE: 104 K-POINT 103: [ 0.5000 0.5000 0.3333] NEMIN-MAX: 1 106 NE: 106 K-POINT 104: [ 1.0000 1.0000 0.3333] NEMIN-MAX: 1 104 NE: 104 K-POINT 105: [ 0.4167 0.3333 0.4167] NEMIN-MAX: 1 104 NE: 104 K-POINT 106: [ 0.5000 0.4167 0.4167] NEMIN-MAX: 1 104 NE: 104 K-POINT 107: [ 1.0000 0.9167 0.4167] NEMIN-MAX: 1 104 NE: 104 K-POINT 108: [ 0.5000 0.3333 0.5000] NEMIN-MAX: 1 104 NE: 104 K-POINT 109: [ 0.5833 0.4167 0.5000] NEMIN-MAX: 1 104 NE: 104 K-POINT 110: [ 1.0000 0.8333 0.5000] NEMIN-MAX: 1 104 NE: 104 K-POINT 111: [ 1.0833 0.9167 0.5000] NEMIN-MAX: 1 104 NE: 104 K-POINT 112: [ 1.0000 0.7500 0.5833] NEMIN-MAX: 1 106 NE: 106 K-POINT 113: [ 1.0833 0.8333 0.5833] NEMIN-MAX: 1 106 NE: 106 K-POINT 114: [ 1.0000 0.6667 0.6667] NEMIN-MAX: 1 106 NE: 106 K-POINT 115: [ 1.0833 0.7500 0.6667] NEMIN-MAX: 1 106 NE: 106 K-POINT 116: [ 1.1667 0.8333 0.6667] NEMIN-MAX: 1 106 NE: 106 K-POINT 117: [ 1.0000 0.5833 0.7500] NEMIN-MAX: 1 106 NE: 106 K-POINT 118: [ 1.0833 0.6667 0.7500] NEMIN-MAX: 1 106 NE: 106 K-POINT 119: [ 1.1667 0.7500 0.7500] NEMIN-MAX: 1 104 NE: 104 K-POINT 120: [ 1.0000 0.5000 0.8333] NEMIN-MAX: 1 108 NE: 108 K-POINT 121: [ 1.0833 0.5833 0.8333] NEMIN-MAX: 1 106 NE: 106 K-POINT 122: [ 1.1667 0.6667 0.8333] NEMIN-MAX: 1 104 NE: 104 K-POINT 123: [ 1.2500 0.7500 0.8333] NEMIN-MAX: 1 104 NE: 104 K-POINT 124: [ 1.0000 0.4167 0.9167] NEMIN-MAX: 1 108 NE: 108 K-POINT 125: [ 1.0833 0.5000 0.9167] NEMIN-MAX: 1 108 NE: 108 K-POINT 126: [ 1.1667 0.5833 0.9167] NEMIN-MAX: 1 104 NE: 104 K-POINT 127: [ 1.2500 0.6667 0.9167] NEMIN-MAX: 1 104 NE: 104 K-POINT 128: [ 1.0000 0.3333 1.0000] NEMIN-MAX: 1 108 NE: 108 K-POINT 129: [ 1.0833 0.4167 1.0000] NEMIN-MAX: 1 108 NE: 108 K-POINT 130: [ 1.1667 0.5000 1.0000] NEMIN-MAX: 1 108 NE: 108 K-POINT 131: [ 1.2500 0.5833 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 132: [ 1.3333 0.6667 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 133: [ 0.5000 0.5000 0.5000] NEMIN-MAX: 1 104 NE: 104 K-POINT 134: [ 1.0000 1.0000 0.5000] NEMIN-MAX: 1 104 NE: 104 K-POINT 135: [ 1.0000 0.9167 0.5833] NEMIN-MAX: 1 104 NE: 104 K-POINT 136: [ 1.0000 0.8333 0.6667] NEMIN-MAX: 1 106 NE: 106 K-POINT 137: [ 1.0833 0.9167 0.6667] NEMIN-MAX: 1 106 NE: 106 K-POINT 138: [ 1.0000 0.7500 0.7500] NEMIN-MAX: 1 106 NE: 106 K-POINT 139: [ 1.0833 0.8333 0.7500] NEMIN-MAX: 1 106 NE: 106 K-POINT 140: [ 1.0000 0.6667 0.8333] NEMIN-MAX: 1 108 NE: 108 K-POINT 141: [ 1.0833 0.7500 0.8333] NEMIN-MAX: 1 106 NE: 106 K-POINT 142: [ 1.1667 0.8333 0.8333] NEMIN-MAX: 1 104 NE: 104 K-POINT 143: [ 1.0000 0.5833 0.9167] NEMIN-MAX: 1 106 NE: 106 K-POINT 144: [ 1.0833 0.6667 0.9167] NEMIN-MAX: 1 106 NE: 106 K-POINT 145: [ 1.1667 0.7500 0.9167] NEMIN-MAX: 1 106 NE: 106 K-POINT 146: [ 1.0000 0.5000 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 147: [ 1.0833 0.5833 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 148: [ 1.1667 0.6667 1.0000] NEMIN-MAX: 1 104 NE: 104 K-POINT 149: [ 1.2500 0.7500 1.0000] NEMIN-MAX: 1 104 NE: 104 K-POINT 150: [ 1.0000 1.0000 0.6667] NEMIN-MAX: 1 104 NE: 104 K-POINT 151: [ 1.0000 0.9167 0.7500] NEMIN-MAX: 1 106 NE: 106 K-POINT 152: [ 1.0000 0.8333 0.8333] NEMIN-MAX: 1 104 NE: 104 K-POINT 153: [ 1.0833 0.9167 0.8333] NEMIN-MAX: 1 104 NE: 104 K-POINT 154: [ 1.0000 0.7500 0.9167] NEMIN-MAX: 1 106 NE: 106 K-POINT 155: [ 1.0833 0.8333 0.9167] NEMIN-MAX: 1 104 NE: 104 K-POINT 156: [ 1.0000 0.6667 1.0000] NEMIN-MAX: 1 108 NE: 108 K-POINT 157: [ 1.0833 0.7500 1.0000] NEMIN-MAX: 1 106 NE: 106 K-POINT 158: [ 1.1667 0.8333 1.0000] NEMIN-MAX: 1 104 NE: 104 K-POINT 159: [ 1.0000 1.0000 0.8333] NEMIN-MAX: 1 104 NE: 104 K-POINT 160: [ 1.0000 0.9167 0.9167] NEMIN-MAX: 1 102 NE: 102 K-POINT 161: [ 1.0000 0.8333 1.0000] NEMIN-MAX: 1 104 NE: 104 K-POINT 162: [ 1.0833 0.9167 1.0000] NEMIN-MAX: 1 104 NE: 104 K-POINT 163: [ 1.0000 1.0000 1.0000] NEMIN-MAX: 1 102 NE: 102 =====>>> CPU TIME SUMMARY MATRIX ELEMENTS: 0.0 ... 0. PERCENT TOTAL : 61.2 ... 100. PERCENT