iterations/neb0_image06_iter262_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.373713872821E+03 0.37371E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.518824904876E+01 -0.36853E+03 -0.35609E+03 858 0.194E+02
DAV: 3 -0.950525386508E+02 -0.10024E+03 -0.99854E+02 672 0.117E+02
DAV: 4 -0.997843623435E+02 -0.47318E+01 -0.47177E+01 728 0.286E+01
DAV: 5 -0.998832535730E+02 -0.98891E-01 -0.98845E-01 720 0.365E+00 0.224E+01
DAV: 6 -0.913552538726E+02 0.85280E+01 -0.30088E+01 704 0.304E+01 0.117E+01
DAV: 7 -0.905419471610E+02 0.81331E+00 -0.17487E+00 720 0.637E+00 0.480E+00
DAV: 8 -0.901689795617E+02 0.37297E+00 -0.54765E-01 696 0.412E+00 0.169E+00
DAV: 9 -0.900773584615E+02 0.91621E-01 -0.13035E-01 728 0.164E+00 0.433E-01
DAV: 10 -0.900676399517E+02 0.97185E-02 -0.33681E-02 760 0.909E-01 0.287E-01
DAV: 11 -0.900717557633E+02 -0.41158E-02 -0.12434E-02 605 0.637E-01 0.186E-01
DAV: 12 -0.900728940174E+02 -0.11383E-02 -0.38972E-03 672 0.396E-01 0.948E-02
DAV: 13 -0.900774883594E+02 -0.45943E-02 -0.33080E-03 614 0.317E-01 0.915E-02
DAV: 14 -0.900791954824E+02 -0.17071E-02 -0.46219E-04 832 0.177E-01 0.461E-02
DAV: 15 -0.900824777823E+02 -0.32823E-02 -0.10099E-03 625 0.182E-01 0.421E-02
DAV: 16 -0.900842305556E+02 -0.17528E-02 -0.29150E-04 925 0.126E-01 0.205E-02
DAV: 17 -0.900850998491E+02 -0.86929E-03 -0.13878E-04 685 0.549E-02 0.144E-02
DAV: 18 -0.900855255324E+02 -0.42568E-03 -0.49887E-05 589 0.289E-02 0.123E-02
DAV: 19 -0.900856442034E+02 -0.11867E-03 -0.17721E-05 560 0.311E-02 0.477E-03
DAV: 20 -0.900857226520E+02 -0.78449E-04 -0.15682E-05 425 0.202E-02 0.350E-03
DAV: 21 -0.900857427200E+02 -0.20068E-04 -0.27123E-06 477 0.716E-03 0.322E-03
DAV: 22 -0.900857533375E+02 -0.10617E-04 -0.22717E-06 407 0.958E-03 0.928E-04
DAV: 23 -0.900857561579E+02 -0.28204E-05 -0.10965E-06 466 0.522E-03
1 F= -.90085756E+02 E0= -.90090201E+02 d E =0.133352E-01