iterations/neb0_image06_iter4_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 0.364846241858E+03 0.36485E+03 -0.14203E+04 624 0.799E+02
DAV: 2 0.791005181080E+01 -0.35694E+03 -0.34307E+03 861 0.193E+02
DAV: 3 -0.909006122703E+02 -0.98811E+02 -0.98160E+02 696 0.115E+02
DAV: 4 -0.956490607554E+02 -0.47484E+01 -0.47274E+01 704 0.279E+01
DAV: 5 -0.957519511534E+02 -0.10289E+00 -0.10285E+00 752 0.363E+00 0.224E+01
DAV: 6 -0.869454888237E+02 0.88065E+01 -0.33437E+01 660 0.321E+01 0.118E+01
DAV: 7 -0.861726395246E+02 0.77285E+00 -0.22094E+00 720 0.818E+00 0.509E+00
DAV: 8 -0.857458210775E+02 0.42682E+00 -0.68275E-01 712 0.470E+00 0.184E+00
DAV: 9 -0.856741073948E+02 0.71714E-01 -0.21851E-01 776 0.221E+00 0.977E-01
DAV: 10 -0.856579381426E+02 0.16169E-01 -0.28086E-02 725 0.110E+00 0.466E-01
DAV: 11 -0.856501125804E+02 0.78256E-02 -0.27255E-02 704 0.807E-01 0.291E-01
DAV: 12 -0.856518561905E+02 -0.17436E-02 -0.10109E-02 666 0.630E-01 0.184E-01
DAV: 13 -0.856542520121E+02 -0.23958E-02 -0.38440E-03 632 0.332E-01 0.153E-01
DAV: 14 -0.856590117312E+02 -0.47597E-02 -0.28060E-03 678 0.282E-01 0.823E-02
DAV: 15 -0.856609413863E+02 -0.19297E-02 -0.56149E-04 658 0.154E-01 0.526E-02
DAV: 16 -0.856634675766E+02 -0.25262E-02 -0.58893E-04 655 0.122E-01 0.327E-02
DAV: 17 -0.856645365984E+02 -0.10690E-02 -0.11219E-04 800 0.686E-02 0.201E-02
DAV: 18 -0.856655304504E+02 -0.99385E-03 -0.11946E-04 660 0.575E-02 0.115E-02
DAV: 19 -0.856659047066E+02 -0.37426E-03 -0.20321E-05 541 0.242E-02 0.803E-03
DAV: 20 -0.856661806418E+02 -0.27594E-03 -0.46172E-05 618 0.336E-02 0.571E-03
DAV: 21 -0.856662282257E+02 -0.47584E-04 -0.41111E-06 488 0.155E-02 0.386E-03
DAV: 22 -0.856662624697E+02 -0.34244E-04 -0.12632E-05 439 0.199E-02 0.453E-03
DAV: 23 -0.856662699318E+02 -0.74621E-05 -0.25780E-06 469 0.127E-02
1 F= -.85666270E+02 E0= -.85674201E+02 d E =0.237921E-01