CoulombF is one of Full | Georges atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.9219999997897048e-05, -1.2309056599999977, -1.2319174300000029, -1.2312939600000021]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8282571122 DCs== fixn False nimp, TrSigmaG= 7.58470719402 172.59715245 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -7.6060000004929407e-05, -1.2329174000000052, -1.2338632100000027, -1.2332710900000023]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8239281007 DCs== fixn False nimp, TrSigmaG= 7.58230944973 172.587086818 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.8980000002529778e-05, -1.2324391900000009, -1.2333355100000034, -1.2327709900000059]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8277348834 DCs== fixn False nimp, TrSigmaG= 7.58956751977 172.620855386 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -7.3419999999657648e-05, -1.2330006199999985, -1.2336987599999958, -1.2332325699999984]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8296456401 DCs== fixn False nimp, TrSigmaG= 7.58677266557 172.6028395 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.0810000001556546e-05, -1.2495836000000011, -1.2501502499999972, -1.2497486099999975]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8365729293 DCs== fixn False nimp, TrSigmaG= 7.58646528236 172.668467518 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.2809999995749877e-05, -1.2331769799999961, -1.2341146999999992, -1.2335276499999992]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8285275196 DCs== fixn False nimp, TrSigmaG= 7.58524808621 172.622897218 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -1.2249999997493433e-05, -1.2323213000000024, -1.2333091100000004, -1.2326959800000026]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8253348458 DCs== fixn False nimp, TrSigmaG= 7.5900289643 172.586522989 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.7819999998164349e-05, -1.2333070099999972, -1.2341302499999998, -1.2336020799999972]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8317368454 DCs== fixn False nimp, TrSigmaG= 7.58477143947 172.629602004 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.3570000002546294e-05, -1.2325182100000021, -1.2334950199999994, -1.2328888199999994]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8309990548 DCs== fixn False nimp, TrSigmaG= 7.5864708746 172.637382832 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -8.6299999999539523e-05, -1.2330890600000046, -1.2339637199999984, -1.2334093899999985]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8364211933 DCs== fixn False nimp, TrSigmaG= 7.58680945062 172.663973141 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.2189999994945993e-05, -1.2325363699999983, -1.2334786599999958, -1.2328889799999985]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8438704076 DCs== fixn False nimp, TrSigmaG= 7.58778086614 172.722390083 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -5.3519999994477985e-05, -1.2324597199999943, -1.2333955299999957, -1.2328106899999938]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8507759329 DCs== fixn False nimp, TrSigmaG= 7.59005563772 172.776394745 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -5.4779999999254869e-05, -1.2329048499999971, -1.2337995499999934, -1.2332328799999956]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8470007016 DCs== fixn False nimp, TrSigmaG= 7.5882070181 172.745379814 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.3810000000330547e-05, -1.2424308300000035, -1.2430796100000023, -1.242637209999998]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8485215312 DCs== fixn False nimp, TrSigmaG= 7.59332393727 172.756783807 atom_arg= "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.6919999999440734e-05, -1.2600034000000022, -1.2603030900000007, -1.2600354799999991]" Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8482325212 DCs== fixn False nimp, TrSigmaG= 7.59475727745 172.738838146 Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8360128346 DCs== fixn False nimp, TrSigmaG= 7.58645163411 172.653832115 Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8352042355 DCs== fixn False nimp, TrSigmaG= 7.58785511205 172.658472274 Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8328371229 DCs== fixn False nimp, TrSigmaG= 7.59076997667 172.642078826 Edc_old= [ 46.49 46.49 46.49 46.49 46.49] 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]] = 46.8383898874 DCs== fixn False nimp, TrSigmaG= 7.58513545594 172.686070094