iterations/neb0_image08_iter237_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 0.374413558209E+03 0.37441E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.367045788140E+01 -0.37074E+03 -0.35827E+03 869 0.196E+02
DAV: 3 -0.967963835176E+02 -0.10047E+03 -0.10015E+03 672 0.117E+02
DAV: 4 -0.101291448164E+03 -0.44951E+01 -0.44825E+01 720 0.284E+01
DAV: 5 -0.101378410954E+03 -0.86963E-01 -0.86914E-01 736 0.359E+00 0.228E+01
DAV: 6 -0.926695451804E+02 0.87089E+01 -0.30960E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917934085983E+02 0.87614E+00 -0.17347E+00 712 0.614E+00 0.480E+00
DAV: 8 -0.914164438641E+02 0.37696E+00 -0.54886E-01 720 0.397E+00 0.161E+00
DAV: 9 -0.913371933165E+02 0.79251E-01 -0.13169E-01 728 0.154E+00 0.420E-01
DAV: 10 -0.913293479680E+02 0.78453E-02 -0.45294E-02 736 0.109E+00 0.304E-01
DAV: 11 -0.913342300423E+02 -0.48821E-02 -0.14149E-02 616 0.617E-01 0.150E-01
DAV: 12 -0.913371812090E+02 -0.29512E-02 -0.28497E-03 631 0.225E-01 0.117E-01
DAV: 13 -0.913409682952E+02 -0.37871E-02 -0.29200E-03 647 0.286E-01 0.596E-02
DAV: 14 -0.913440317676E+02 -0.30635E-02 -0.82733E-04 664 0.160E-01 0.242E-02
DAV: 15 -0.913454719257E+02 -0.14402E-02 -0.14647E-04 672 0.608E-02 0.159E-02
DAV: 16 -0.913465765776E+02 -0.11047E-02 -0.14275E-04 644 0.603E-02 0.111E-02
DAV: 17 -0.913468517097E+02 -0.27513E-03 -0.19123E-05 536 0.248E-02 0.956E-03
DAV: 18 -0.913470374754E+02 -0.18577E-03 -0.33646E-05 602 0.313E-02 0.460E-03
DAV: 19 -0.913470913499E+02 -0.53874E-04 -0.44314E-06 504 0.143E-02 0.251E-03
DAV: 20 -0.913471206086E+02 -0.29259E-04 -0.56064E-06 415 0.109E-02 0.205E-03
DAV: 21 -0.913471293894E+02 -0.87808E-05 -0.12377E-06 477 0.544E-03
1 F= -.91347129E+02 E0= -.91352169E+02 d E =0.151179E-01