iterations/neb0_image02_iter191_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 0.366947766269E+03 0.36695E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.214154894592E+01 -0.36481E+03 -0.35273E+03 861 0.195E+02
DAV: 3 -0.955504199582E+02 -0.97692E+02 -0.97358E+02 640 0.116E+02
DAV: 4 -0.100243455375E+03 -0.46930E+01 -0.46820E+01 720 0.295E+01
DAV: 5 -0.100336195635E+03 -0.92740E-01 -0.92704E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916764295051E+02 0.86598E+01 -0.30952E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908589106915E+02 0.81752E+00 -0.18456E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904781046717E+02 0.38081E+00 -0.55112E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903912201080E+02 0.86885E-01 -0.13729E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903858520963E+02 0.53680E-02 -0.50003E-02 704 0.128E+00 0.332E-01
DAV: 11 -0.903894978931E+02 -0.36458E-02 -0.80508E-03 616 0.596E-01 0.123E-01
DAV: 12 -0.903925436372E+02 -0.30457E-02 -0.70535E-03 648 0.427E-01 0.137E-01
DAV: 13 -0.903950586762E+02 -0.25150E-02 -0.19512E-03 853 0.346E-01 0.824E-02
DAV: 14 -0.903983072299E+02 -0.32486E-02 -0.14535E-03 623 0.179E-01 0.717E-02
DAV: 15 -0.904001519707E+02 -0.18447E-02 -0.31456E-04 696 0.106E-01 0.540E-02
DAV: 16 -0.904016639004E+02 -0.15119E-02 -0.11049E-03 680 0.195E-01 0.414E-02
DAV: 17 -0.904023566120E+02 -0.69271E-03 -0.16456E-04 752 0.895E-02 0.266E-02
DAV: 18 -0.904026690075E+02 -0.31240E-03 -0.78672E-05 672 0.420E-02 0.111E-02
DAV: 19 -0.904028480541E+02 -0.17905E-03 -0.47587E-05 658 0.362E-02 0.710E-03
DAV: 20 -0.904028767477E+02 -0.28694E-04 -0.46997E-06 520 0.151E-02 0.598E-03
DAV: 21 -0.904029327671E+02 -0.56019E-04 -0.11699E-05 417 0.183E-02 0.340E-03
DAV: 22 -0.904029401182E+02 -0.73511E-05 -0.43645E-06 488 0.124E-02
1 F= -.90402940E+02 E0= -.90409630E+02 d E =0.200685E-01