CoulombF is one of Full | Georges atom_arg= "qOCA=1" "Nmax=2000" "J=0.8" "Eoca=1.0" "l=2" "n=[5, 6, 7]" "OCA_G=False" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[6]" "max_M_size=100" "qatom=0" "CoulombF='Full'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -0.20752346999999816, 0.042350060000000411, 0.042386010000001306, 0.063720599999999905]" Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.0130870896 DCs== fixn False nimp, TrSigmaG= 6.21779932074 76.3686046893 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.0971564251 DCs== fixn False nimp, TrSigmaG= 6.24612484222 77.0038811118 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1104133729 DCs== fixn False nimp, TrSigmaG= 6.25218746055 77.1168452432 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1233016356 DCs== fixn False nimp, TrSigmaG= 6.25185785428 77.2090693012 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1357761521 DCs== fixn False nimp, TrSigmaG= 6.25187205319 77.306456226 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1351214529 DCs== fixn False nimp, TrSigmaG= 6.25061486809 77.3058074083 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1323261892 DCs== fixn False nimp, TrSigmaG= 6.25090641272 77.2898506357 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1287324827 DCs== fixn False nimp, TrSigmaG= 6.24779457966 77.2643327553 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1274800254 DCs== fixn False nimp, TrSigmaG= 6.25194120505 77.2632407923 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1255234384 DCs== fixn False nimp, TrSigmaG= 6.24837059249 77.2506683466 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.126694103 DCs== fixn False nimp, TrSigmaG= 6.2490998174 77.2625662736 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1229759557 DCs== fixn False nimp, TrSigmaG= 6.24867216524 77.2388288875 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1222300043 DCs== fixn False nimp, TrSigmaG= 6.24160848852 77.2373168208 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1196902982 DCs== fixn False nimp, TrSigmaG= 6.24806131979 77.220092998 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1141251738 DCs== fixn False nimp, TrSigmaG= 6.24759263263 77.1782601197 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.112108263 DCs== fixn False nimp, TrSigmaG= 6.24846368361 77.1617035512 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1174831208 DCs== fixn False nimp, TrSigmaG= 6.2450842867 77.2056026182 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.116311901 DCs== fixn False nimp, TrSigmaG= 6.24521928786 77.1968767462 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1173960484 DCs== fixn False nimp, TrSigmaG= 6.24881057945 77.1994578419 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1179176419 DCs== fixn False nimp, TrSigmaG= 6.24709531949 77.2096826665 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1210253819 DCs== fixn False nimp, TrSigmaG= 6.24474518599 77.2317767993 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1155007522 DCs== fixn False nimp, TrSigmaG= 6.2452022469 77.1896719421 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1131894288 DCs== fixn False nimp, TrSigmaG= 6.24663286975 77.1804448403 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1120423484 DCs== fixn False nimp, TrSigmaG= 6.24150266119 77.1722210965 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1117018794 DCs== fixn False nimp, TrSigmaG= 6.2428940659 77.1684050289 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1110909445 DCs== fixn False nimp, TrSigmaG= 6.24354550605 77.1630562706 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1129575425 DCs== fixn False nimp, TrSigmaG= 6.24548682277 77.1772810322 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1122643589 DCs== fixn False nimp, TrSigmaG= 6.24609186389 77.1708892547 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1116327024 DCs== fixn False nimp, TrSigmaG= 6.2469400306 77.1649314705 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1143617024 DCs== fixn False nimp, TrSigmaG= 6.24091927098 77.1845897249 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1142218735 DCs== fixn False nimp, TrSigmaG= 6.24300496445 77.1853896379 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1168654587 DCs== fixn False nimp, TrSigmaG= 6.24607865439 77.2027013129 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1167672853 DCs== fixn False nimp, TrSigmaG= 6.24623374659 77.203306307 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1133103797 DCs== fixn False nimp, TrSigmaG= 6.24581469477 77.181007436 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1082857576 DCs== fixn False nimp, TrSigmaG= 6.24269782434 77.1449426371 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1062603337 DCs== fixn False nimp, TrSigmaG= 6.24663520374 77.1277681546 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1079050102 DCs== fixn False nimp, TrSigmaG= 6.24363337076 77.1394302462 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1119162723 DCs== fixn False nimp, TrSigmaG= 6.24490538594 77.1667066448 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1106105859 DCs== fixn False nimp, TrSigmaG= 6.24680086963 77.1588308361 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1111335671 DCs== fixn False nimp, TrSigmaG= 6.24308459845 77.165681997 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1104008619 DCs== fixn False nimp, TrSigmaG= 6.24735790032 77.1579667555 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1084303627 DCs== fixn False nimp, TrSigmaG= 6.24320325597 77.1497409734 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1081110328 DCs== fixn False nimp, TrSigmaG= 6.23839087748 77.1440782137 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1070569476 DCs== fixn False nimp, TrSigmaG= 6.24148974503 77.1377529383 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1037704467 DCs== fixn False nimp, TrSigmaG= 6.24385261634 77.1094968067 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1089288158 DCs== fixn False nimp, TrSigmaG= 6.24241420979 77.1446192087 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.109511483 DCs== fixn False nimp, TrSigmaG= 6.24412179991 77.1509300461 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1131600943 DCs== fixn False nimp, TrSigmaG= 6.24360695244 77.1835133971 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.110496384 DCs== fixn False nimp, TrSigmaG= 6.24432192163 77.1574370271 Edc_old= [ 25.5 25.5 25.5 25.5 25.5] Sigind= [[1 0 0 0 0] [0 2 0 0 0] [0 0 3 0 0] [0 0 0 4 0] [0 0 0 0 5]] = 26.1130029571 DCs== fixn False nimp, TrSigmaG= 6.24711788301 77.1698806762