./iterations/neb0_image09_iter248_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 0.374235594504E+03 0.37424E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331255701810E+01 -0.37092E+03 -0.35829E+03 869 0.196E+02
DAV: 3 -0.967618021454E+02 -0.10007E+03 -0.99746E+02 661 0.117E+02
DAV: 4 -0.101285173070E+03 -0.45234E+01 -0.45128E+01 720 0.287E+01
DAV: 5 -0.101373729183E+03 -0.88556E-01 -0.88518E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926842466427E+02 0.86895E+01 -0.30991E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.918119825412E+02 0.87226E+00 -0.17192E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914357068999E+02 0.37628E+00 -0.54311E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913550092389E+02 0.80698E-01 -0.13249E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913469551785E+02 0.80541E-02 -0.44236E-02 760 0.109E+00 0.301E-01
DAV: 11 -0.913513107702E+02 -0.43556E-02 -0.12023E-02 608 0.571E-01 0.132E-01
DAV: 12 -0.913545476856E+02 -0.32369E-02 -0.28477E-03 623 0.241E-01 0.108E-01
DAV: 13 -0.913580274409E+02 -0.34798E-02 -0.13134E-03 677 0.197E-01 0.419E-02
DAV: 14 -0.913613321254E+02 -0.33047E-02 -0.67362E-04 656 0.142E-01 0.360E-02
DAV: 15 -0.913625960277E+02 -0.12639E-02 -0.12812E-04 768 0.785E-02 0.320E-02
DAV: 16 -0.913640786204E+02 -0.14826E-02 -0.33378E-04 645 0.892E-02 0.178E-02
DAV: 17 -0.913644672842E+02 -0.38866E-03 -0.64272E-05 704 0.561E-02 0.116E-02
DAV: 18 -0.913647078774E+02 -0.24059E-03 -0.38111E-05 565 0.256E-02 0.890E-03
DAV: 19 -0.913647622955E+02 -0.54418E-04 -0.82565E-06 504 0.164E-02 0.373E-03
DAV: 20 -0.913647905330E+02 -0.28238E-04 -0.65647E-06 432 0.157E-02 0.191E-03
DAV: 21 -0.913648031624E+02 -0.12629E-04 -0.20129E-06 464 0.671E-03 0.227E-03
DAV: 22 -0.913648081777E+02 -0.50153E-05 -0.69300E-07 456 0.504E-03
1 F= -.91364808E+02 E0= -.91369616E+02 d E =0.144244E-01