./iterations/neb0_image07_iter154_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 0.371244733503E+03 0.37124E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.337946713854E+01 -0.36787E+03 -0.35535E+03 869 0.194E+02
DAV: 3 -0.963989187087E+02 -0.99778E+02 -0.99452E+02 685 0.116E+02
DAV: 4 -0.100987973844E+03 -0.45891E+01 -0.45770E+01 696 0.283E+01
DAV: 5 -0.101082278380E+03 -0.94305E-01 -0.94235E-01 736 0.361E+00 0.226E+01
DAV: 6 -0.925038527510E+02 0.85784E+01 -0.30533E+01 720 0.299E+01 0.118E+01
DAV: 7 -0.916577635061E+02 0.84609E+00 -0.17291E+00 712 0.618E+00 0.477E+00
DAV: 8 -0.912887910693E+02 0.36897E+00 -0.52471E-01 720 0.394E+00 0.164E+00
DAV: 9 -0.912070539328E+02 0.81737E-01 -0.12961E-01 720 0.157E+00 0.423E-01
DAV: 10 -0.911985365627E+02 0.85174E-02 -0.39217E-02 765 0.105E+00 0.285E-01
DAV: 11 -0.912026791687E+02 -0.41426E-02 -0.10049E-02 608 0.533E-01 0.131E-01
DAV: 12 -0.912054617223E+02 -0.27826E-02 -0.22534E-03 641 0.246E-01 0.932E-02
DAV: 13 -0.912093317253E+02 -0.38700E-02 -0.12825E-03 631 0.184E-01 0.516E-02
DAV: 14 -0.912118661994E+02 -0.25345E-02 -0.43068E-04 760 0.145E-01 0.287E-02
DAV: 15 -0.912139776842E+02 -0.21115E-02 -0.24525E-04 647 0.824E-02 0.291E-02
DAV: 16 -0.912152586839E+02 -0.12810E-02 -0.12870E-04 685 0.513E-02 0.106E-02
DAV: 17 -0.912159262949E+02 -0.66761E-03 -0.80632E-05 677 0.409E-02 0.109E-02
DAV: 18 -0.912161698337E+02 -0.24354E-03 -0.23732E-05 552 0.221E-02 0.452E-03
DAV: 19 -0.912162499605E+02 -0.80127E-04 -0.10499E-05 448 0.140E-02 0.224E-03
DAV: 20 -0.912162761557E+02 -0.26195E-04 -0.32235E-06 447 0.767E-03 0.163E-03
DAV: 21 -0.912162833270E+02 -0.71713E-05 -0.14484E-06 448 0.604E-03
1 F= -.91216283E+02 E0= -.91221784E+02 d E =0.165017E-01