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, -3.4349999999960801e-05, -1.227711829999997, -1.2284745299999997, -1.2279756399999968]" 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]] = 46.8270933429 DCs== fixn False nimp, TrSigmaG= 7.5866639204 172.596983483 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, -6.6660000001661501e-05, -1.2281965000000028, -1.2289547100000036, -1.22845753]" 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]] = 46.8208169142 DCs== fixn False nimp, TrSigmaG= 7.59086019645 172.567092691 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, -3.8539999998477015e-05, -1.2293217699999985, -1.230056679999997, -1.2295734999999937]" 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]] = 46.8239579618 DCs== fixn False nimp, TrSigmaG= 7.58498923497 172.583194833 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, -6.0189999999238353e-05, -1.2303179499999999, -1.231285419999999, -1.2306860099999994]" 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]] = 46.8203860996 DCs== fixn False nimp, TrSigmaG= 7.58262610344 172.563033508 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, -3.2120000000190885e-05, -1.246031330000001, -1.2468359499999977, -1.2463157699999954]" 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]] = 46.8246204132 DCs== fixn False nimp, TrSigmaG= 7.58510803681 172.58907856 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, -4.7669999993615875e-05, -1.2288869499999961, -1.2299226399999981, -1.2292885600000005]" 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]] = 46.8230805616 DCs== fixn False nimp, TrSigmaG= 7.58404804299 172.574601486 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, 1.4900000024908877e-06, -1.2278131999999999, -1.2291198899999998, -1.2283493400000012]" 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]] = 46.8191219479 DCs== fixn False nimp, TrSigmaG= 7.59029109165 172.531167935 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, -6.3449999998965723e-05, -1.2294587300000046, -1.2294201099999995, -1.2293233900000047]" 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]] = 46.8187863928 DCs== fixn False nimp, TrSigmaG= 7.58507677737 172.540238478 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, -3.5900000000310683e-05, -1.2286257499999991, -1.2295531199999985, -1.2289723800000019]" 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]] = 46.8216678363 DCs== fixn False nimp, TrSigmaG= 7.58227313241 172.568911579 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, -8.0319999995026592e-05, -1.2291154699999964, -1.229604529999996, -1.2292433499999973]" 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]] = 46.8284674828 DCs== fixn False nimp, TrSigmaG= 7.58467513676 172.605736075 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, -3.1559999996488841e-05, -1.2289445800000038, -1.229521130000002, -1.2291150000000002]" 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]] = 46.835726825 DCs== fixn False nimp, TrSigmaG= 7.58510292883 172.656232764 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, -3.8170000003390214e-05, -1.2303406999999993, -1.2309331700000001, -1.2305210100000039]" 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]] = 46.8443777167 DCs== fixn False nimp, TrSigmaG= 7.5891549896 172.733575631 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, -4.3989999994664686e-05, -1.228761139999996, -1.2298309999999972, -1.2291779499999933]" 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]] = 46.8372076953 DCs== fixn False nimp, TrSigmaG= 7.59099170737 172.671183063 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, -5.8719999998402272e-05, -1.2400043399999987, -1.2388548600000036, -1.2393110300000032]" 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]] = 46.8427102003 DCs== fixn False nimp, TrSigmaG= 7.5911469118 172.723611502 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, -2.712999999943122e-05, -1.25847847, -1.2549658900000011, -1.2566052900000031]" 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]] = 46.8367295642 DCs== fixn False nimp, TrSigmaG= 7.58804271329 172.664775872 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]] = 46.820734731 DCs== fixn False nimp, TrSigmaG= 7.58522010819 172.538652283 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]] = 46.8131878765 DCs== fixn False nimp, TrSigmaG= 7.58607721188 172.500982972 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]] = 46.8142569692 DCs== fixn False nimp, TrSigmaG= 7.58287306822 172.50430358 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]] = 46.8246896807 DCs== fixn False nimp, TrSigmaG= 7.58381629374 172.591521322