iterations/neb0_image05_iter229_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finishedN E dE d eps ncg rms rms(c) DAV: 1 0.367090489891E+03 0.36709E+03 -0.14294E+04 624 0.799E+02 DAV: 2 0.267858194872E+01 -0.36441E+03 -0.35106E+03 864 0.195E+02 DAV: 3 -0.953824718426E+02 -0.98061E+02 -0.97718E+02 661 0.116E+02 DAV: 4 -0.999627759402E+02 -0.45803E+01 -0.45702E+01 696 0.286E+01 DAV: 5 -0.100056233591E+03 -0.93458E-01 -0.93414E-01 720 0.362E+00 0.221E+01 DAV: 6 -0.915474323571E+02 0.85088E+01 -0.30722E+01 712 0.298E+01 0.116E+01 DAV: 7 -0.907293483542E+02 0.81808E+00 -0.17305E+00 720 0.628E+00 0.482E+00 DAV: 8 -0.903529001687E+02 0.37645E+00 -0.55745E-01 720 0.430E+00 0.164E+00 DAV: 9 -0.902702653813E+02 0.82635E-01 -0.13096E-01 720 0.169E+00 0.431E-01 DAV: 10 -0.902637455412E+02 0.65198E-02 -0.43669E-02 720 0.120E+00 0.313E-01 DAV: 11 -0.902672357728E+02 -0.34902E-02 -0.74007E-03 608 0.567E-01 0.125E-01 DAV: 12 -0.902698074004E+02 -0.25716E-02 -0.58454E-03 608 0.432E-01 0.118E-01 DAV: 13 -0.902724840664E+02 -0.26767E-02 -0.13364E-03 866 0.279E-01 0.763E-02 DAV: 14 -0.902759000813E+02 -0.34160E-02 -0.14328E-03 631 0.182E-01 0.613E-02 DAV: 15 -0.902775269117E+02 -0.16268E-02 -0.34677E-04 776 0.137E-01 0.439E-02 DAV: 16 -0.902788834714E+02 -0.13566E-02 -0.47135E-04 656 0.164E-01 0.388E-02 DAV: 17 -0.902786802595E+02 0.20321E-03 -0.13238E-04 682 0.757E-02 0.437E-02 DAV: 18 -0.902790994226E+02 -0.41916E-03 -0.10361E-04 762 0.935E-02 0.349E-02 DAV: 19 -0.902798466867E+02 -0.74726E-03 -0.40931E-04 762 0.204E-01 0.448E-02 DAV: 20 -0.902805122061E+02 -0.66552E-03 -0.51974E-04 752 0.196E-01 0.566E-02 DAV: 21 -0.902806344763E+02 -0.12227E-03 -0.22060E-04 736 0.914E-02 0.732E-02 DAV: 22 -0.902806171718E+02 0.17305E-04 -0.12640E-05 480 0.222E-02 0.731E-02 DAV: 23 -0.902805992732E+02 0.17899E-04 -0.78832E-06 536 0.340E-02 0.791E-02 DAV: 24 -0.902805577392E+02 0.41534E-04 -0.31647E-05 624 0.616E-02 0.843E-02 DAV: 25 -0.902805403644E+02 0.17375E-04 -0.61207E-05 720 0.620E-02 0.791E-02 DAV: 26 -0.902804664301E+02 0.73934E-04 -0.30766E-05 584 0.933E-02 0.805E-02 DAV: 27 -0.902810382149E+02 -0.57178E-03 -0.85494E-04 736 0.581E-01 0.790E-02 DAV: 28 -0.902813870471E+02 -0.34883E-03 -0.19548E-03 736 0.196E-01 0.122E-01 DAV: 29 -0.902812462080E+02 0.14084E-03 -0.17174E-04 664 0.134E-01 0.126E-01 DAV: 30 -0.902802037855E+02 0.10424E-02 -0.65037E-03 920 0.980E-01 0.824E-02 DAV: 31 -0.902802987494E+02 -0.94964E-04 -0.55299E-03 712 0.385E-01 0.921E-02 DAV: 32 -0.902800496291E+02 0.24912E-03 -0.23859E-04 784 0.116E-01 0.970E-02 DAV: 33 -0.902800459395E+02 0.36896E-05 -0.48191E-05 704 0.360E-02 1 F= -.90280046E+02 E0= -.90288671E+02 d E =0.258761E-01