iterations/neb0_image05_iter176_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 0.370512607813E+03 0.37051E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.347317628458E+01 -0.36704E+03 -0.35430E+03 858 0.195E+02
DAV: 3 -0.954144683704E+02 -0.98888E+02 -0.98558E+02 672 0.116E+02
DAV: 4 -0.100014602058E+03 -0.46001E+01 -0.45896E+01 696 0.283E+01
DAV: 5 -0.100108901602E+03 -0.94300E-01 -0.94252E-01 720 0.357E+00 0.223E+01
DAV: 6 -0.915726158510E+02 0.85363E+01 -0.30363E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.907650302663E+02 0.80759E+00 -0.18364E+00 736 0.638E+00 0.482E+00
DAV: 8 -0.903910369315E+02 0.37399E+00 -0.51964E-01 736 0.418E+00 0.171E+00
DAV: 9 -0.903018192156E+02 0.89218E-01 -0.14207E-01 712 0.169E+00 0.438E-01
DAV: 10 -0.902944689509E+02 0.73503E-02 -0.43272E-02 760 0.131E+00 0.318E-01
DAV: 11 -0.902970097874E+02 -0.25408E-02 -0.59828E-03 632 0.493E-01 0.174E-01
DAV: 12 -0.902996429888E+02 -0.26332E-02 -0.71945E-03 626 0.484E-01 0.118E-01
DAV: 13 -0.903026409825E+02 -0.29980E-02 -0.11322E-03 730 0.251E-01 0.779E-02
DAV: 14 -0.903058386222E+02 -0.31976E-02 -0.13847E-03 663 0.172E-01 0.445E-02
DAV: 15 -0.903090141589E+02 -0.31755E-02 -0.41271E-04 677 0.965E-02 0.359E-02
DAV: 16 -0.903104460471E+02 -0.14319E-02 -0.30112E-04 704 0.958E-02 0.172E-02
DAV: 17 -0.903112959095E+02 -0.84986E-03 -0.81123E-05 639 0.467E-02 0.174E-02
DAV: 18 -0.903116137063E+02 -0.31780E-03 -0.44055E-05 608 0.332E-02 0.949E-03
DAV: 19 -0.903117313356E+02 -0.11763E-03 -0.16993E-05 466 0.217E-02 0.321E-03
DAV: 20 -0.903117876552E+02 -0.56320E-04 -0.75978E-06 445 0.118E-02 0.357E-03
DAV: 21 -0.903118131355E+02 -0.25480E-04 -0.28277E-06 466 0.729E-03 0.189E-03
DAV: 22 -0.903118219732E+02 -0.88376E-05 -0.27473E-06 442 0.817E-03
1 F= -.90311822E+02 E0= -.90319939E+02 d E =0.243499E-01