iterations/neb0_image08_iter113_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 0.376057096394E+03 0.37606E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.345435225237E+01 -0.37260E+03 -0.35963E+03 869 0.196E+02
DAV: 3 -0.967971824574E+02 -0.10025E+03 -0.99912E+02 680 0.117E+02
DAV: 4 -0.101202522044E+03 -0.44053E+01 -0.43951E+01 696 0.279E+01
DAV: 5 -0.101289455976E+03 -0.86934E-01 -0.86899E-01 736 0.352E+00 0.228E+01
DAV: 6 -0.926227279315E+02 0.86667E+01 -0.30811E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917481912186E+02 0.87454E+00 -0.17167E+00 720 0.616E+00 0.481E+00
DAV: 8 -0.913693123059E+02 0.37888E+00 -0.55116E-01 704 0.400E+00 0.163E+00
DAV: 9 -0.912863036994E+02 0.83009E-01 -0.13196E-01 712 0.157E+00 0.424E-01
DAV: 10 -0.912774014946E+02 0.89022E-02 -0.47527E-02 760 0.114E+00 0.309E-01
DAV: 11 -0.912820301875E+02 -0.46287E-02 -0.14152E-02 624 0.622E-01 0.151E-01
DAV: 12 -0.912848399941E+02 -0.28098E-02 -0.29957E-03 606 0.247E-01 0.121E-01
DAV: 13 -0.912885937053E+02 -0.37537E-02 -0.17826E-03 722 0.231E-01 0.458E-02
DAV: 14 -0.912918641205E+02 -0.32704E-02 -0.57785E-04 656 0.135E-01 0.354E-02
DAV: 15 -0.912935291288E+02 -0.16650E-02 -0.18351E-04 656 0.792E-02 0.395E-02
DAV: 16 -0.912947617271E+02 -0.12326E-02 -0.36247E-04 650 0.979E-02 0.189E-02
DAV: 17 -0.912950943885E+02 -0.33266E-03 -0.53362E-05 680 0.518E-02 0.144E-02
DAV: 18 -0.912953615797E+02 -0.26719E-03 -0.45472E-05 570 0.314E-02 0.120E-02
DAV: 19 -0.912954451666E+02 -0.83587E-04 -0.10097E-05 480 0.183E-02 0.557E-03
DAV: 20 -0.912954760592E+02 -0.30893E-04 -0.10125E-05 440 0.200E-02 0.211E-03
DAV: 21 -0.912954997484E+02 -0.23689E-04 -0.48335E-06 414 0.107E-02 0.344E-03
DAV: 22 -0.912955031261E+02 -0.33778E-05 -0.72009E-07 520 0.433E-03
1 F= -.91295503E+02 E0= -.91300481E+02 d E =0.149327E-01