iterations/neb0_image02_iter186_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 0.366749111606E+03 0.36675E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.177903708867E+01 -0.36497E+03 -0.35365E+03 861 0.195E+02
DAV: 3 -0.957676500357E+02 -0.97547E+02 -0.97211E+02 656 0.116E+02
DAV: 4 -0.100231865457E+03 -0.44642E+01 -0.44540E+01 720 0.286E+01
DAV: 5 -0.100318951814E+03 -0.87086E-01 -0.87059E-01 752 0.360E+00 0.222E+01
DAV: 6 -0.916737300899E+02 0.86452E+01 -0.31083E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908609368682E+02 0.81279E+00 -0.18382E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904797870415E+02 0.38115E+00 -0.55317E-01 704 0.431E+00 0.170E+00
DAV: 9 -0.903925816502E+02 0.87205E-01 -0.13753E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903870920439E+02 0.54896E-02 -0.50327E-02 712 0.129E+00 0.331E-01
DAV: 11 -0.903906060292E+02 -0.35140E-02 -0.77717E-03 616 0.574E-01 0.129E-01
DAV: 12 -0.903937863624E+02 -0.31803E-02 -0.75381E-03 648 0.454E-01 0.139E-01
DAV: 13 -0.903962384837E+02 -0.24521E-02 -0.20382E-03 880 0.355E-01 0.821E-02
DAV: 14 -0.903994371097E+02 -0.31986E-02 -0.14548E-03 631 0.181E-01 0.708E-02
DAV: 15 -0.904013186436E+02 -0.18815E-02 -0.33431E-04 672 0.105E-01 0.552E-02
DAV: 16 -0.904028284044E+02 -0.15098E-02 -0.10901E-03 672 0.196E-01 0.396E-02
DAV: 17 -0.904035560044E+02 -0.72760E-03 -0.14554E-04 680 0.832E-02 0.298E-02
DAV: 18 -0.904038823063E+02 -0.32630E-03 -0.10604E-04 664 0.499E-02 0.108E-02
DAV: 19 -0.904040501949E+02 -0.16789E-03 -0.45402E-05 650 0.342E-02 0.764E-03
DAV: 20 -0.904040794983E+02 -0.29303E-04 -0.40830E-06 504 0.152E-02 0.641E-03
DAV: 21 -0.904041263187E+02 -0.46820E-04 -0.87851E-06 409 0.151E-02 0.424E-03
DAV: 22 -0.904041359389E+02 -0.96202E-05 -0.49350E-06 480 0.135E-02
1 F= -.90404136E+02 E0= -.90410567E+02 d E =0.192935E-01