./iterations/neb0_image02_iter263_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 0.366277199770E+03 0.36628E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.742821404908E+00 -0.36553E+03 -0.35486E+03 869 0.196E+02
DAV: 3 -0.956122560513E+02 -0.96355E+02 -0.96025E+02 621 0.116E+02
DAV: 4 -0.100267554372E+03 -0.46553E+01 -0.46453E+01 712 0.299E+01
DAV: 5 -0.100360578021E+03 -0.93024E-01 -0.92992E-01 736 0.378E+00 0.222E+01
DAV: 6 -0.916780085862E+02 0.86826E+01 -0.30961E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908538565555E+02 0.82415E+00 -0.18174E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904732264216E+02 0.38063E+00 -0.55358E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903886180446E+02 0.84608E-01 -0.13488E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903842663054E+02 0.43517E-02 -0.49050E-02 712 0.125E+00 0.329E-01
DAV: 11 -0.903880732156E+02 -0.38069E-02 -0.79114E-03 624 0.597E-01 0.117E-01
DAV: 12 -0.903912465956E+02 -0.31734E-02 -0.69050E-03 632 0.429E-01 0.140E-01
DAV: 13 -0.903936476353E+02 -0.24010E-02 -0.20788E-03 877 0.344E-01 0.799E-02
DAV: 14 -0.903967906994E+02 -0.31431E-02 -0.13866E-03 612 0.180E-01 0.729E-02
DAV: 15 -0.903984939881E+02 -0.17033E-02 -0.28071E-04 688 0.973E-02 0.583E-02
DAV: 16 -0.903999109000E+02 -0.14169E-02 -0.10717E-03 666 0.197E-01 0.362E-02
DAV: 17 -0.904005450940E+02 -0.63419E-03 -0.12032E-04 672 0.737E-02 0.315E-02
DAV: 18 -0.904008882084E+02 -0.34311E-03 -0.10468E-04 661 0.516E-02 0.123E-02
DAV: 19 -0.904010501762E+02 -0.16197E-03 -0.53762E-05 655 0.379E-02 0.863E-03
DAV: 20 -0.904010782045E+02 -0.28028E-04 -0.35931E-06 504 0.129E-02 0.688E-03
DAV: 21 -0.904011213910E+02 -0.43187E-04 -0.11626E-05 417 0.194E-02 0.297E-03
DAV: 22 -0.904011261674E+02 -0.47764E-05 -0.40485E-06 504 0.115E-02
1 F= -.90401126E+02 E0= -.90407313E+02 d E =0.185594E-01