./iterations/neb0_image09_iter97_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 0.374329360013E+03 0.37433E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.245549630206E+01 -0.37187E+03 -0.35952E+03 877 0.196E+02
DAV: 3 -0.966725986004E+02 -0.99128E+02 -0.98790E+02 656 0.117E+02
DAV: 4 -0.101210688133E+03 -0.45381E+01 -0.45287E+01 696 0.289E+01
DAV: 5 -0.101300711510E+03 -0.90023E-01 -0.89984E-01 736 0.368E+00 0.226E+01
DAV: 6 -0.926643799193E+02 0.86363E+01 -0.30845E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918010142922E+02 0.86337E+00 -0.17055E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914241626370E+02 0.37685E+00 -0.54758E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913418327408E+02 0.82330E-01 -0.13042E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913328375236E+02 0.89952E-02 -0.45077E-02 752 0.111E+00 0.302E-01
DAV: 11 -0.913373789939E+02 -0.45415E-02 -0.13034E-02 616 0.590E-01 0.148E-01
DAV: 12 -0.913403019079E+02 -0.29229E-02 -0.29411E-03 620 0.246E-01 0.109E-01
DAV: 13 -0.913440090275E+02 -0.37071E-02 -0.13701E-03 664 0.202E-01 0.450E-02
DAV: 14 -0.913474629474E+02 -0.34539E-02 -0.72268E-04 661 0.154E-01 0.353E-02
DAV: 15 -0.913487501784E+02 -0.12872E-02 -0.13418E-04 720 0.751E-02 0.348E-02
DAV: 16 -0.913501898823E+02 -0.14397E-02 -0.35639E-04 644 0.971E-02 0.183E-02
DAV: 17 -0.913505842737E+02 -0.39439E-03 -0.57681E-05 688 0.550E-02 0.128E-02
DAV: 18 -0.913508440670E+02 -0.25979E-03 -0.49709E-05 573 0.339E-02 0.114E-02
DAV: 19 -0.913509184196E+02 -0.74353E-04 -0.11567E-05 488 0.197E-02 0.523E-03
DAV: 20 -0.913509499682E+02 -0.31549E-04 -0.82836E-06 448 0.181E-02 0.169E-03
DAV: 21 -0.913509722108E+02 -0.22243E-04 -0.46467E-06 429 0.108E-02 0.287E-03
DAV: 22 -0.913509774196E+02 -0.52088E-05 -0.91286E-07 488 0.444E-03
1 F= -.91350977E+02 E0= -.91355656E+02 d E =0.140347E-01