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, -0.070285719999997553, 0.069008740000001012, 0.069008769999999942, 0.063410350000001614]" 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]] = 26.2003007137 DCs== fixn False nimp, TrSigmaG= 6.26364624797 77.3658307259 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]] = 26.2654396452 DCs== fixn False nimp, TrSigmaG= 6.27392778889 77.8847437116 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]] = 26.2667844969 DCs== fixn False nimp, TrSigmaG= 6.28112037922 77.9214929686 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]] = 26.2727128511 DCs== fixn False nimp, TrSigmaG= 6.2811443014 77.9696351878 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]] = 26.2657227116 DCs== fixn False nimp, TrSigmaG= 6.28424233354 77.9164849947 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]] = 26.2714024181 DCs== fixn False nimp, TrSigmaG= 6.28434746023 77.9622042094 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]] = 26.2644967008 DCs== fixn False nimp, TrSigmaG= 6.28055020801 77.915175646 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]] = 26.2652326831 DCs== fixn False nimp, TrSigmaG= 6.28365308865 77.9164893231 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]] = 26.2704434785 DCs== fixn False nimp, TrSigmaG= 6.28478782086 77.9514874351 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]] = 26.2718019221 DCs== fixn False nimp, TrSigmaG= 6.28537906474 77.967549597 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]] = 26.2650980553 DCs== fixn False nimp, TrSigmaG= 6.27930737249 77.91526388 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]] = 26.2647592684 DCs== fixn False nimp, TrSigmaG= 6.28125828796 77.9102267895 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]] = 26.2677594584 DCs== fixn False nimp, TrSigmaG= 6.28300869326 77.9354053978 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]] = 26.2695349479 DCs== fixn False nimp, TrSigmaG= 6.28020365116 77.950397523 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]] = 26.2689793559 DCs== fixn False nimp, TrSigmaG= 6.28466484813 77.9456441054 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]] = 26.2680608066 DCs== fixn False nimp, TrSigmaG= 6.2795139306 77.9418348141 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]] = 26.2679920027 DCs== fixn False nimp, TrSigmaG= 6.27945057272 77.9374489295 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]] = 26.2727016521 DCs== fixn False nimp, TrSigmaG= 6.28620993461 77.9774320575 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]] = 26.269360617 DCs== fixn False nimp, TrSigmaG= 6.28298935133 77.9486810237 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]] = 26.270372205 DCs== fixn False nimp, TrSigmaG= 6.28739197343 77.9585313157 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]] = 26.2665147936 DCs== fixn False nimp, TrSigmaG= 6.28211087548 77.9249818488 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]] = 26.2683642906 DCs== fixn False nimp, TrSigmaG= 6.28186256461 77.9400873514 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]] = 26.2682289392 DCs== fixn False nimp, TrSigmaG= 6.28623693372 77.9394567486 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]] = 26.2723958756 DCs== fixn False nimp, TrSigmaG= 6.27969909292 77.9728118734 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]] = 26.2671261103 DCs== fixn False nimp, TrSigmaG= 6.28268212151 77.9350800461 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]] = 26.2660524213 DCs== fixn False nimp, TrSigmaG= 6.27431689243 77.9251479167 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]] = 26.2664627141 DCs== fixn False nimp, TrSigmaG= 6.2846644539 77.9270105607 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]] = 26.2686913434 DCs== fixn False nimp, TrSigmaG= 6.28504815966 77.944525631 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]] = 26.2722822683 DCs== fixn False nimp, TrSigmaG= 6.28238142594 77.9622017212 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]] = 26.2765692644 DCs== fixn False nimp, TrSigmaG= 6.27589498548 77.9983086169 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]] = 26.2653710971 DCs== fixn False nimp, TrSigmaG= 6.26615066076 77.9097066825 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]] = 26.2707555177 DCs== fixn False nimp, TrSigmaG= 6.27131480222 77.9510518365 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]] = 26.2692633104 DCs== fixn False nimp, TrSigmaG= 6.27759566881 77.9419620922 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]] = 26.271397739 DCs== fixn False nimp, TrSigmaG= 6.28479752789 77.9594693119 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]] = 26.2752035507 DCs== fixn False nimp, TrSigmaG= 6.27897287151 77.9921027031 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]] = 26.2701740051 DCs== fixn False nimp, TrSigmaG= 6.28042851875 77.9552050667 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]] = 26.2680311186 DCs== fixn False nimp, TrSigmaG= 6.27992603523 77.9347508545 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]] = 26.2706770871 DCs== fixn False nimp, TrSigmaG= 6.27693638728 77.9513823495 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]] = 26.2714832853 DCs== fixn False nimp, TrSigmaG= 6.28156698666 77.954031245 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]] = 26.2754938032 DCs== fixn False nimp, TrSigmaG= 6.2841729323 77.9926820823 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]] = 26.2715333783 DCs== fixn False nimp, TrSigmaG= 6.28572592347 77.9634011626 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]] = 26.2733298355 DCs== fixn False nimp, TrSigmaG= 6.28585060277 77.9719056373 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]] = 26.2776202394 DCs== fixn False nimp, TrSigmaG= 6.28350823776 78.0090588907 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]] = 26.271875279 DCs== fixn False nimp, TrSigmaG= 6.28227013906 77.966489676 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]] = 26.2740415613 DCs== fixn False nimp, TrSigmaG= 6.28024815921 77.9802827347 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]] = 26.2691253365 DCs== fixn False nimp, TrSigmaG= 6.27943648726 77.9460543192 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]] = 26.2729077701 DCs== fixn False nimp, TrSigmaG= 6.28332903978 77.9742016989 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]] = 26.2756297527 DCs== fixn False nimp, TrSigmaG= 6.2817539361 77.9954893037 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]] = 26.2682465465 DCs== fixn False nimp, TrSigmaG= 6.28079779038 77.9328862739 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]] = 26.2710868807 DCs== fixn False nimp, TrSigmaG= 6.28371386961 77.9613059295