iterations/neb0_image09_iter28_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 0.374955204484E+03 0.37496E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.206290450046E+01 -0.37289E+03 -0.36037E+03 885 0.196E+02
DAV: 3 -0.967944142985E+02 -0.98857E+02 -0.98531E+02 664 0.116E+02
DAV: 4 -0.101237841860E+03 -0.44434E+01 -0.44340E+01 688 0.283E+01
DAV: 5 -0.101325309287E+03 -0.87467E-01 -0.87426E-01 736 0.360E+00 0.228E+01
DAV: 6 -0.926430203563E+02 0.86823E+01 -0.30846E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.917681899009E+02 0.87483E+00 -0.17211E+00 728 0.617E+00 0.479E+00
DAV: 8 -0.913932475282E+02 0.37494E+00 -0.54006E-01 712 0.395E+00 0.164E+00
DAV: 9 -0.913109722080E+02 0.82275E-01 -0.13102E-01 704 0.155E+00 0.425E-01
DAV: 10 -0.913022453776E+02 0.87268E-02 -0.44640E-02 760 0.110E+00 0.302E-01
DAV: 11 -0.913068095740E+02 -0.45642E-02 -0.13630E-02 616 0.607E-01 0.151E-01
DAV: 12 -0.913096840832E+02 -0.28745E-02 -0.27072E-03 631 0.231E-01 0.112E-01
DAV: 13 -0.913136696030E+02 -0.39855E-02 -0.20649E-03 674 0.238E-01 0.469E-02
DAV: 14 -0.913170385348E+02 -0.33689E-02 -0.64800E-04 656 0.151E-01 0.267E-02
DAV: 15 -0.913184199058E+02 -0.13814E-02 -0.17820E-04 680 0.745E-02 0.276E-02
DAV: 16 -0.913195325220E+02 -0.11126E-02 -0.21796E-04 647 0.799E-02 0.139E-02
DAV: 17 -0.913199468387E+02 -0.41432E-03 -0.36337E-05 600 0.347E-02 0.133E-02
DAV: 18 -0.913201378528E+02 -0.19101E-03 -0.47235E-05 640 0.411E-02 0.103E-02
DAV: 19 -0.913202443881E+02 -0.10654E-03 -0.13366E-05 450 0.251E-02 0.362E-03
DAV: 20 -0.913202688401E+02 -0.24452E-04 -0.85390E-06 496 0.145E-02 0.194E-03
DAV: 21 -0.913202929863E+02 -0.24146E-04 -0.27897E-06 398 0.695E-03 0.151E-03
DAV: 22 -0.913202990621E+02 -0.60758E-05 -0.12334E-06 469 0.625E-03
1 F= -.91320299E+02 E0= -.91325054E+02 d E =0.142658E-01