iterations/neb0_image09_iter224_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 0.373956191632E+03 0.37396E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.329366466315E+01 -0.37066E+03 -0.35806E+03 869 0.196E+02
DAV: 3 -0.967151546650E+02 -0.10001E+03 -0.99680E+02 661 0.117E+02
DAV: 4 -0.101248074543E+03 -0.45329E+01 -0.45222E+01 720 0.287E+01
DAV: 5 -0.101337165677E+03 -0.89091E-01 -0.89050E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926727519232E+02 0.86644E+01 -0.30988E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918087946759E+02 0.86396E+00 -0.17169E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914338299986E+02 0.37496E+00 -0.54475E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913530962806E+02 0.80734E-01 -0.13174E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913449799279E+02 0.81164E-02 -0.43616E-02 752 0.108E+00 0.299E-01
DAV: 11 -0.913493127020E+02 -0.43328E-02 -0.11563E-02 608 0.557E-01 0.131E-01
DAV: 12 -0.913526083936E+02 -0.32957E-02 -0.28605E-03 623 0.244E-01 0.108E-01
DAV: 13 -0.913560159134E+02 -0.34075E-02 -0.11409E-03 674 0.187E-01 0.432E-02
DAV: 14 -0.913592346264E+02 -0.32187E-02 -0.73511E-04 664 0.145E-01 0.389E-02
DAV: 15 -0.913605539374E+02 -0.13193E-02 -0.13825E-04 744 0.820E-02 0.324E-02
DAV: 16 -0.913620523141E+02 -0.14984E-02 -0.32187E-04 645 0.857E-02 0.169E-02
DAV: 17 -0.913625024191E+02 -0.45011E-03 -0.67988E-05 688 0.549E-02 0.122E-02
DAV: 18 -0.913627436109E+02 -0.24119E-03 -0.41821E-05 565 0.281E-02 0.899E-03
DAV: 19 -0.913627820490E+02 -0.38438E-04 -0.68989E-06 512 0.158E-02 0.429E-03
DAV: 20 -0.913628116683E+02 -0.29619E-04 -0.74934E-06 418 0.170E-02 0.186E-03
DAV: 21 -0.913628234407E+02 -0.11772E-04 -0.21620E-06 472 0.718E-03 0.242E-03
DAV: 22 -0.913628280105E+02 -0.45698E-05 -0.52496E-07 448 0.444E-03
1 F= -.91362828E+02 E0= -.91367554E+02 d E =0.141768E-01