./iterations/neb0_image09_iter180_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 0.374076068331E+03 0.37408E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.322712219950E+01 -0.37085E+03 -0.35811E+03 869 0.196E+02
DAV: 3 -0.966264835456E+02 -0.99854E+02 -0.99521E+02 653 0.117E+02
DAV: 4 -0.101244151654E+03 -0.46177E+01 -0.46069E+01 720 0.291E+01
DAV: 5 -0.101335419474E+03 -0.91268E-01 -0.91227E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926764174315E+02 0.86590E+01 -0.30921E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918090699449E+02 0.86735E+00 -0.17147E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914335325863E+02 0.37554E+00 -0.54508E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913523011369E+02 0.81231E-01 -0.13114E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913440061852E+02 0.82950E-02 -0.43913E-02 768 0.110E+00 0.299E-01
DAV: 11 -0.913483048418E+02 -0.42987E-02 -0.11580E-02 616 0.559E-01 0.131E-01
DAV: 12 -0.913515527725E+02 -0.32479E-02 -0.28760E-03 623 0.248E-01 0.108E-01
DAV: 13 -0.913550450631E+02 -0.34923E-02 -0.11229E-03 669 0.186E-01 0.448E-02
DAV: 14 -0.913582405533E+02 -0.31955E-02 -0.73384E-04 664 0.146E-01 0.382E-02
DAV: 15 -0.913596514581E+02 -0.14109E-02 -0.15267E-04 744 0.850E-02 0.335E-02
DAV: 16 -0.913611230801E+02 -0.14716E-02 -0.31796E-04 645 0.857E-02 0.163E-02
DAV: 17 -0.913615837762E+02 -0.46070E-03 -0.70790E-05 712 0.556E-02 0.129E-02
DAV: 18 -0.913618206914E+02 -0.23692E-03 -0.38700E-05 565 0.276E-02 0.883E-03
DAV: 19 -0.913618639382E+02 -0.43247E-04 -0.72443E-06 504 0.148E-02 0.448E-03
DAV: 20 -0.913618928658E+02 -0.28928E-04 -0.57619E-06 415 0.155E-02 0.128E-03
DAV: 21 -0.913619106243E+02 -0.17758E-04 -0.27661E-06 456 0.758E-03 0.204E-03
DAV: 22 -0.913619143817E+02 -0.37573E-05 -0.52461E-07 496 0.399E-03
1 F= -.91361914E+02 E0= -.91366706E+02 d E =0.143753E-01