./iterations/neb0_image07_iter215_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 0.370920134616E+03 0.37092E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.364221233083E+01 -0.36728E+03 -0.35523E+03 869 0.194E+02
DAV: 3 -0.965980679819E+02 -0.10024E+03 -0.99944E+02 696 0.116E+02
DAV: 4 -0.101085003436E+03 -0.44869E+01 -0.44750E+01 704 0.276E+01
DAV: 5 -0.101174966228E+03 -0.89963E-01 -0.89908E-01 736 0.351E+00 0.226E+01
DAV: 6 -0.925749911201E+02 0.86000E+01 -0.30730E+01 717 0.299E+01 0.118E+01
DAV: 7 -0.917291430206E+02 0.84585E+00 -0.17422E+00 712 0.620E+00 0.479E+00
DAV: 8 -0.913569597433E+02 0.37218E+00 -0.54024E-01 736 0.396E+00 0.162E+00
DAV: 9 -0.912757217576E+02 0.81238E-01 -0.12975E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.912670661962E+02 0.86556E-02 -0.40228E-02 736 0.103E+00 0.286E-01
DAV: 11 -0.912714976911E+02 -0.44315E-02 -0.11451E-02 616 0.558E-01 0.144E-01
DAV: 12 -0.912743575119E+02 -0.28598E-02 -0.23404E-03 632 0.246E-01 0.925E-02
DAV: 13 -0.912782786616E+02 -0.39211E-02 -0.17038E-03 634 0.207E-01 0.521E-02
DAV: 14 -0.912809800720E+02 -0.27014E-02 -0.64757E-04 789 0.199E-01 0.380E-02
DAV: 15 -0.912829615598E+02 -0.19815E-02 -0.39721E-04 650 0.102E-01 0.334E-02
DAV: 16 -0.912838618296E+02 -0.90027E-03 -0.15235E-04 760 0.786E-02 0.140E-02
DAV: 17 -0.912846678347E+02 -0.80601E-03 -0.12502E-04 717 0.581E-02 0.152E-02
DAV: 18 -0.912848752022E+02 -0.20737E-03 -0.15377E-05 496 0.268E-02 0.100E-02
DAV: 19 -0.912850194076E+02 -0.14421E-03 -0.50546E-05 618 0.404E-02 0.810E-03
DAV: 20 -0.912850491842E+02 -0.29777E-04 -0.61976E-06 504 0.232E-02 0.351E-03
DAV: 21 -0.912850653005E+02 -0.16116E-04 -0.44061E-06 429 0.107E-02 0.136E-03
DAV: 22 -0.912850824631E+02 -0.17163E-04 -0.23023E-06 428 0.687E-03 0.717E-04
DAV: 23 -0.912850847505E+02 -0.22874E-05 -0.83215E-07 488 0.409E-03
1 F= -.91285085E+02 E0= -.91290309E+02 d E =0.156730E-01