iterations/neb0_image07_iter85_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 0.376878060421E+03 0.37688E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.349125468906E+01 -0.37339E+03 -0.36129E+03 877 0.196E+02
DAV: 3 -0.964562514652E+02 -0.99948E+02 -0.99620E+02 672 0.117E+02
DAV: 4 -0.100889589044E+03 -0.44333E+01 -0.44228E+01 696 0.283E+01
DAV: 5 -0.100977722157E+03 -0.88133E-01 -0.88094E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.923645924186E+02 0.86131E+01 -0.30718E+01 709 0.302E+01 0.119E+01
DAV: 7 -0.914957643609E+02 0.86883E+00 -0.16695E+00 720 0.616E+00 0.482E+00
DAV: 8 -0.911127638133E+02 0.38300E+00 -0.57126E-01 704 0.408E+00 0.163E+00
DAV: 9 -0.910284975362E+02 0.84266E-01 -0.13174E-01 720 0.155E+00 0.429E-01
DAV: 10 -0.910188117842E+02 0.96858E-02 -0.46975E-02 709 0.110E+00 0.306E-01
DAV: 11 -0.910234478452E+02 -0.46361E-02 -0.11942E-02 608 0.568E-01 0.141E-01
DAV: 12 -0.910266632704E+02 -0.32154E-02 -0.36208E-03 627 0.279E-01 0.147E-01
DAV: 13 -0.910303220026E+02 -0.36587E-02 -0.26152E-03 733 0.318E-01 0.539E-02
DAV: 14 -0.910329085839E+02 -0.25866E-02 -0.62912E-04 645 0.118E-01 0.580E-02
DAV: 15 -0.910353932286E+02 -0.24846E-02 -0.27179E-04 650 0.812E-02 0.345E-02
DAV: 16 -0.910365788681E+02 -0.11856E-02 -0.38601E-04 680 0.967E-02 0.271E-02
DAV: 17 -0.910371296229E+02 -0.55075E-03 -0.11009E-04 645 0.665E-02 0.104E-02
DAV: 18 -0.910372820422E+02 -0.15242E-03 -0.23505E-05 560 0.249E-02 0.727E-03
DAV: 19 -0.910373611248E+02 -0.79083E-04 -0.13803E-05 440 0.232E-02 0.242E-03
DAV: 20 -0.910374008652E+02 -0.39740E-04 -0.75166E-06 477 0.139E-02 0.406E-03
DAV: 21 -0.910374106492E+02 -0.97841E-05 -0.11831E-06 464 0.705E-03
1 F= -.91037411E+02 E0= -.91042490E+02 d E =0.152374E-01