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, -0.005095980000000111, -0.035741829999999197, -0.035746110000001607, -0.047469299999999492]" 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]] = 26.1443272959 DCs== fixn False nimp, TrSigmaG= 6.25473914408 76.6118253243 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]] = 26.1768495179 DCs== fixn False nimp, TrSigmaG= 6.25425078413 76.8727324525 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]] = 26.1713334608 DCs== fixn False nimp, TrSigmaG= 6.25274781101 76.8359279511 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]] = 26.174510488 DCs== fixn False nimp, TrSigmaG= 6.26100391898 76.8663976668 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]] = 26.1773483883 DCs== fixn False nimp, TrSigmaG= 6.26748360512 76.8968703449 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]] = 26.1728017379 DCs== fixn False nimp, TrSigmaG= 6.25703420621 76.8572893481 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]] = 26.1780088571 DCs== fixn False nimp, TrSigmaG= 6.25944993468 76.9124720247 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]] = 26.1706441885 DCs== fixn False nimp, TrSigmaG= 6.25288630594 76.8500025961 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]] = 26.1706219926 DCs== fixn False nimp, TrSigmaG= 6.26088890204 76.8496010643 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]] = 26.1734725872 DCs== fixn False nimp, TrSigmaG= 6.26004655112 76.8777508128 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]] = 26.1687188978 DCs== fixn False nimp, TrSigmaG= 6.24433987774 76.8462792959 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]] = 26.1640770249 DCs== fixn False nimp, TrSigmaG= 6.25288933937 76.8031952407 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]] = 26.1642918576 DCs== fixn False nimp, TrSigmaG= 6.25758889061 76.8013570548 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]] = 26.1685226646 DCs== fixn False nimp, TrSigmaG= 6.26203482918 76.8336412515 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]] = 26.1665076372 DCs== fixn False nimp, TrSigmaG= 6.2605804929 76.8213765274 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]] = 26.1656688185 DCs== fixn False nimp, TrSigmaG= 6.25728964992 76.8178587768 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]] = 26.1699478925 DCs== fixn False nimp, TrSigmaG= 6.25733659756 76.8507092451 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]] = 26.1626275036 DCs== fixn False nimp, TrSigmaG= 6.2585815229 76.7896762557 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]] = 26.1662000363 DCs== fixn False nimp, TrSigmaG= 6.25905178933 76.8218091794 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]] = 26.1665641275 DCs== fixn False nimp, TrSigmaG= 6.26150599049 76.8212197217 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]] = 26.1667744048 DCs== fixn False nimp, TrSigmaG= 6.25586755093 76.8275704484 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]] = 26.1684929798 DCs== fixn False nimp, TrSigmaG= 6.25455284337 76.838127099 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]] = 26.1701657305 DCs== fixn False nimp, TrSigmaG= 6.26042062066 76.8523060369 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]] = 26.1737512822 DCs== fixn False nimp, TrSigmaG= 6.25710186369 76.8778129138 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]] = 26.1712364673 DCs== fixn False nimp, TrSigmaG= 6.25992439753 76.8568121263 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]] = 26.1719720174 DCs== fixn False nimp, TrSigmaG= 6.26129327619 76.8608829775 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]] = 26.1699376292 DCs== fixn False nimp, TrSigmaG= 6.2580885829 76.8433686719 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]] = 26.1741261273 DCs== fixn False nimp, TrSigmaG= 6.25904466109 76.8778846269 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]] = 26.1719522075 DCs== fixn False nimp, TrSigmaG= 6.25560809691 76.8604968902 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]] = 26.1683576197 DCs== fixn False nimp, TrSigmaG= 6.25400578439 76.8332700471 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]] = 26.1699631364 DCs== fixn False nimp, TrSigmaG= 6.25275362344 76.8450539611 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]] = 26.1647088659 DCs== fixn False nimp, TrSigmaG= 6.25687758793 76.8048248895 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]] = 26.1635975161 DCs== fixn False nimp, TrSigmaG= 6.25059539094 76.7994077181 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]] = 26.1584880361 DCs== fixn False nimp, TrSigmaG= 6.2515093554 76.7572158404 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]] = 26.1613956633 DCs== fixn False nimp, TrSigmaG= 6.25457451115 76.7808134188 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]] = 26.1622630834 DCs== fixn False nimp, TrSigmaG= 6.25650374427 76.7855059162 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]] = 26.1591173184 DCs== fixn False nimp, TrSigmaG= 6.25871355058 76.7595373612 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]] = 26.1689171631 DCs== fixn False nimp, TrSigmaG= 6.26181525654 76.8390607292 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]] = 26.1637803682 DCs== fixn False nimp, TrSigmaG= 6.25931552801 76.7917853767 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]] = 26.1675075967 DCs== fixn False nimp, TrSigmaG= 6.25986197309 76.8256714703 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]] = 26.1668860094 DCs== fixn False nimp, TrSigmaG= 6.26071524303 76.8235199489 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]] = 26.1626942162 DCs== fixn False nimp, TrSigmaG= 6.25772470139 76.794121833 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]] = 26.1653023926 DCs== fixn False nimp, TrSigmaG= 6.25712545917 76.8138110462 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]] = 26.1655902442 DCs== fixn False nimp, TrSigmaG= 6.25816706259 76.8173953285 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]] = 26.1665015063 DCs== fixn False nimp, TrSigmaG= 6.25675699181 76.8239320086 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]] = 26.1636637802 DCs== fixn False nimp, TrSigmaG= 6.25422764704 76.7965773814 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]] = 26.1603556404 DCs== fixn False nimp, TrSigmaG= 6.25069522644 76.7815455126 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]] = 26.1645895668 DCs== fixn False nimp, TrSigmaG= 6.24876000326 76.8125614323 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]] = 26.1697326623 DCs== fixn False nimp, TrSigmaG= 6.26027583551 76.8544126987 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]] = 26.169940785 DCs== fixn False nimp, TrSigmaG= 6.26165826946 76.8558127831