./iterations/neb0_image02_iter4_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 0.367735031837E+03 0.36774E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.450357776665E+01 -0.36323E+03 -0.35044E+03 842 0.195E+02
DAV: 3 -0.949061863085E+02 -0.99410E+02 -0.99059E+02 680 0.117E+02
DAV: 4 -0.993875981644E+02 -0.44814E+01 -0.44700E+01 712 0.277E+01
DAV: 5 -0.994810464269E+02 -0.93448E-01 -0.93411E-01 728 0.350E+00 0.223E+01
DAV: 6 -0.904794788475E+02 0.90016E+01 -0.32181E+01 701 0.305E+01 0.117E+01
DAV: 7 -0.896756487279E+02 0.80383E+00 -0.18752E+00 712 0.644E+00 0.485E+00
DAV: 8 -0.892985861712E+02 0.37706E+00 -0.55297E-01 696 0.431E+00 0.177E+00
DAV: 9 -0.892068441684E+02 0.91742E-01 -0.14033E-01 712 0.166E+00 0.439E-01
DAV: 10 -0.891999855026E+02 0.68587E-02 -0.30766E-02 733 0.876E-01 0.287E-01
DAV: 11 -0.892031718131E+02 -0.31863E-02 -0.44308E-03 669 0.416E-01 0.115E-01
DAV: 12 -0.892069631229E+02 -0.37913E-02 -0.35091E-03 621 0.294E-01 0.118E-01
DAV: 13 -0.892104754071E+02 -0.35123E-02 -0.26036E-03 747 0.376E-01 0.717E-02
DAV: 14 -0.892128782353E+02 -0.24028E-02 -0.94751E-04 661 0.166E-01 0.539E-02
DAV: 15 -0.892146510938E+02 -0.17729E-02 -0.55490E-04 688 0.139E-01 0.239E-02
DAV: 16 -0.892162237951E+02 -0.15727E-02 -0.15557E-04 653 0.699E-02 0.210E-02
DAV: 17 -0.892171471534E+02 -0.92336E-03 -0.11493E-04 725 0.604E-02 0.897E-03
DAV: 18 -0.892175324405E+02 -0.38529E-03 -0.42985E-05 672 0.286E-02 0.898E-03
DAV: 19 -0.892176671944E+02 -0.13475E-03 -0.95119E-06 461 0.221E-02 0.422E-03
DAV: 20 -0.892177632424E+02 -0.96048E-04 -0.22457E-05 497 0.215E-02 0.531E-03
DAV: 21 -0.892177817558E+02 -0.18513E-04 -0.53270E-06 504 0.224E-02 0.146E-03
DAV: 22 -0.892177942000E+02 -0.12444E-04 -0.31295E-06 415 0.868E-03 0.191E-03
DAV: 23 -0.892177975335E+02 -0.33335E-05 -0.58848E-07 496 0.523E-03
1 F= -.89217798E+02 E0= -.89227626E+02 d E =0.294851E-01