CoulombF is one of Full | Georges
atom_arg= "qOCA=1" "J=0.79" "Eoca=1.0" "l=2" "n=[4, 5, 6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[5, 6, 7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]"  "Eimp=[0.0, -0.4763408099999964]" 


 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2791823799
DCs== fixn False
nimp, TrSigmaG= 6.14093583599 118.889368431
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2788944682
DCs== fixn False
nimp, TrSigmaG= 6.13943217127 118.888148888
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2842772183
DCs== fixn False
nimp, TrSigmaG= 6.14011982908 118.922840848
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.284597685
DCs== fixn False
nimp, TrSigmaG= 6.13820092226 118.925300658
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2918186044
DCs== fixn False
nimp, TrSigmaG= 6.14152812833 118.97458812
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2936695641
DCs== fixn False
nimp, TrSigmaG= 6.14254096587 118.987544281
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2926582421
DCs== fixn False
nimp, TrSigmaG= 6.14026860413 118.980581176
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2908885667
DCs== fixn False
nimp, TrSigmaG= 6.14124862816 118.968172762
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2935098015
DCs== fixn False
nimp, TrSigmaG= 6.14188841233 118.986334777
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2930401795
DCs== fixn False
nimp, TrSigmaG= 6.13917128338 118.983085571
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2905317142
DCs== fixn False
nimp, TrSigmaG= 6.14213573984 118.965417792
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2912209613
DCs== fixn False
nimp, TrSigmaG= 6.14149015376 118.970781245
 
Edc_old= [ 42.025  42.025]
Sigind= [[1 0 0 0 0]
 [0 1 0 0 0]
 [0 0 2 0 0]
 [0 0 0 2 0]
 [0 0 0 0 2]]
<s_oo>= 42.2952967064
DCs== fixn False
nimp, TrSigmaG= 6.1446312552 118.997740043