./iterations/neb0_image06_iter96_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.788538120547E+03 0.78854E+03 -0.25939E+04 912 0.101E+03
DAV: 2 0.100419989631E+03 -0.68812E+03 -0.67171E+03 1096 0.280E+02
DAV: 3 -0.622506824230E+02 -0.16267E+03 -0.16223E+03 867 0.154E+02
DAV: 4 -0.665328023077E+02 -0.42821E+01 -0.42552E+01 808 0.285E+01
DAV: 5 -0.666167562834E+02 -0.83954E-01 -0.83860E-01 865 0.353E+00 0.202E+01
DAV: 6 -0.629847124816E+02 0.36320E+01 -0.64380E+01 790 0.314E+01 0.214E+01
DAV: 7 -0.617802351792E+02 0.12045E+01 -0.75894E+01 864 0.126E+01 0.104E+01
DAV: 8 -0.605167462251E+02 0.12635E+01 -0.10743E+00 870 0.786E+00 0.656E+00
DAV: 9 -0.609352190845E+02 -0.41847E+00 -0.17263E+01 864 0.818E+00 0.158E+01
DAV: 10 -0.598116066198E+02 0.11236E+01 -0.45456E-01 852 0.234E+00 0.128E+01
DAV: 11 -0.600633887355E+02 -0.25178E+00 -0.12636E+01 864 0.417E+00 0.549E+00
DAV: 12 -0.600548883834E+02 0.85004E-02 -0.74660E-02 831 0.171E+00 0.566E+00
DAV: 13 -0.599138443812E+02 0.14104E+00 -0.29456E-01 896 0.932E-01 0.447E+00
DAV: 14 -0.598662973583E+02 0.47547E-01 -0.50065E-03 928 0.467E-01 0.455E+00
DAV: 15 -0.597227911160E+02 0.14351E+00 -0.68750E-01 936 0.147E+00 0.520E+00
DAV: 16 -0.596996972792E+02 0.23094E-01 -0.66116E-02 829 0.635E-01 0.240E+00
DAV: 17 -0.597052520055E+02 -0.55547E-02 -0.59962E-02 859 0.297E-01 0.101E+00
DAV: 18 -0.597198569750E+02 -0.14605E-01 -0.16599E-03 783 0.234E-01 0.523E-01
DAV: 19 -0.597231957153E+02 -0.33387E-02 -0.19385E-03 923 0.159E-01 0.362E-01
DAV: 20 -0.597369529592E+02 -0.13757E-01 -0.24575E-02 918 0.286E-01 0.236E+00
DAV: 21 -0.597191477440E+02 0.17805E-01 -0.11649E-02 915 0.207E-01 0.553E-01
DAV: 22 -0.597275034590E+02 -0.83557E-02 -0.25065E-03 897 0.130E-01 0.352E-01
DAV: 23 -0.597302730883E+02 -0.27696E-02 -0.55041E-04 928 0.965E-02 0.547E-01
DAV: 24 -0.597295851306E+02 0.68796E-03 -0.98009E-04 811 0.641E-02 0.884E-02
DAV: 25 -0.597307761823E+02 -0.11911E-02 -0.26096E-04 784 0.559E-02 0.119E-01
DAV: 26 -0.597309036435E+02 -0.12746E-03 -0.20378E-05 622 0.206E-02 0.127E-01
DAV: 27 -0.597309404478E+02 -0.36804E-04 -0.22568E-04 632 0.197E-02 0.124E-01
DAV: 28 -0.597309787080E+02 -0.38260E-04 -0.16186E-05 571 0.227E-02 0.686E-02
DAV: 29 -0.597310002857E+02 -0.21578E-04 -0.14104E-05 588 0.798E-03 0.682E-03
DAV: 30 -0.597310289833E+02 -0.28698E-04 -0.32321E-06 560 0.744E-03 0.211E-02
DAV: 31 -0.597310337395E+02 -0.47562E-05 -0.27777E-06 519 0.310E-03
1 F= -.59731034E+02 E0= -.59715708E+02 d E =-.459770E-01