./iterations/neb0_image07_iter72_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 0.378543193065E+03 0.37854E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.440371600302E+01 -0.37414E+03 -0.36090E+03 869 0.196E+02
DAV: 3 -0.964242741692E+02 -0.10083E+03 -0.10050E+03 672 0.117E+02
DAV: 4 -0.100909489317E+03 -0.44852E+01 -0.44747E+01 704 0.285E+01
DAV: 5 -0.100997563318E+03 -0.88074E-01 -0.88036E-01 728 0.359E+00 0.228E+01
DAV: 6 -0.923487318353E+02 0.86488E+01 -0.30689E+01 698 0.303E+01 0.120E+01
DAV: 7 -0.914665479341E+02 0.88218E+00 -0.16682E+00 736 0.613E+00 0.482E+00
DAV: 8 -0.910818542699E+02 0.38469E+00 -0.55710E-01 696 0.405E+00 0.163E+00
DAV: 9 -0.909971612239E+02 0.84693E-01 -0.13394E-01 712 0.157E+00 0.427E-01
DAV: 10 -0.909874776683E+02 0.96836E-02 -0.49598E-02 720 0.115E+00 0.315E-01
DAV: 11 -0.909919653437E+02 -0.44877E-02 -0.13138E-02 616 0.613E-01 0.141E-01
DAV: 12 -0.909950377674E+02 -0.30724E-02 -0.37752E-03 613 0.282E-01 0.154E-01
DAV: 13 -0.909988384845E+02 -0.38007E-02 -0.33715E-03 725 0.355E-01 0.602E-02
DAV: 14 -0.910011729700E+02 -0.23345E-02 -0.55761E-04 664 0.118E-01 0.592E-02
DAV: 15 -0.910040450822E+02 -0.28721E-02 -0.38525E-04 639 0.924E-02 0.349E-02
DAV: 16 -0.910052209184E+02 -0.11758E-02 -0.43933E-04 669 0.105E-01 0.311E-02
DAV: 17 -0.910057801189E+02 -0.55920E-03 -0.10955E-04 653 0.593E-02 0.121E-02
DAV: 18 -0.910059707319E+02 -0.19061E-03 -0.29084E-05 608 0.242E-02 0.587E-03
DAV: 19 -0.910060221147E+02 -0.51383E-04 -0.48784E-06 488 0.134E-02 0.192E-03
DAV: 20 -0.910060726989E+02 -0.50584E-04 -0.55917E-06 409 0.100E-02 0.218E-03
DAV: 21 -0.910060859135E+02 -0.13215E-04 -0.14789E-06 485 0.551E-03 0.171E-03
DAV: 22 -0.910060914744E+02 -0.55609E-05 -0.14744E-06 417 0.734E-03
1 F= -.91006091E+02 E0= -.91011084E+02 d E =0.149765E-01