iterations/neb0_image05_iter149_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 0.363513933373E+03 0.36351E+03 -0.14329E+04 640 0.799E+02
DAV: 2 0.769814098489E+00 -0.36274E+03 -0.35013E+03 877 0.192E+02
DAV: 3 -0.951150169840E+02 -0.95885E+02 -0.95556E+02 653 0.114E+02
DAV: 4 -0.994948329222E+02 -0.43798E+01 -0.43704E+01 728 0.282E+01
DAV: 5 -0.995817454526E+02 -0.86913E-01 -0.86874E-01 736 0.357E+00 0.218E+01
DAV: 6 -0.911671513898E+02 0.84146E+01 -0.30264E+01 672 0.298E+01 0.114E+01
DAV: 7 -0.903951065096E+02 0.77204E+00 -0.18102E+00 736 0.634E+00 0.477E+00
DAV: 8 -0.900218049385E+02 0.37330E+00 -0.53168E-01 720 0.415E+00 0.168E+00
DAV: 9 -0.899283431810E+02 0.93462E-01 -0.13193E-01 728 0.165E+00 0.427E-01
DAV: 10 -0.899196144388E+02 0.87287E-02 -0.53168E-02 720 0.128E+00 0.333E-01
DAV: 11 -0.899235737268E+02 -0.39593E-02 -0.10155E-02 629 0.611E-01 0.125E-01
DAV: 12 -0.899260924337E+02 -0.25187E-02 -0.60629E-03 616 0.391E-01 0.143E-01
DAV: 13 -0.899284045468E+02 -0.23121E-02 -0.18790E-03 882 0.340E-01 0.768E-02
DAV: 14 -0.899320524933E+02 -0.36479E-02 -0.16196E-03 631 0.218E-01 0.696E-02
DAV: 15 -0.899340204429E+02 -0.19679E-02 -0.28954E-04 712 0.103E-01 0.520E-02
DAV: 16 -0.899357337769E+02 -0.17133E-02 -0.85545E-04 669 0.171E-01 0.354E-02
DAV: 17 -0.899365927450E+02 -0.85897E-03 -0.11308E-04 698 0.771E-02 0.279E-02
DAV: 18 -0.899369357320E+02 -0.34299E-03 -0.70797E-05 664 0.438E-02 0.149E-02
DAV: 19 -0.899372389962E+02 -0.30326E-03 -0.55358E-05 660 0.357E-02 0.492E-03
DAV: 20 -0.899372900566E+02 -0.51060E-04 -0.71851E-06 520 0.193E-02 0.492E-03
DAV: 21 -0.899373467276E+02 -0.56671E-04 -0.93094E-06 411 0.145E-02 0.495E-03
DAV: 22 -0.899373587808E+02 -0.12053E-04 -0.37116E-06 496 0.144E-02 0.282E-03
DAV: 23 -0.899373611540E+02 -0.23732E-05 -0.58229E-06 493 0.145E-02
1 F= -.89937361E+02 E0= -.89942397E+02 d E =0.151065E-01