./iterations/neb0_image01_iter155_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 0.366094306179E+03 0.36609E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.323495299741E+01 -0.36286E+03 -0.35000E+03 839 0.196E+02
DAV: 3 -0.956062377077E+02 -0.98841E+02 -0.98492E+02 666 0.116E+02
DAV: 4 -0.100235610839E+03 -0.46294E+01 -0.46181E+01 704 0.287E+01
DAV: 5 -0.100327929156E+03 -0.92318E-01 -0.92273E-01 728 0.361E+00 0.223E+01
DAV: 6 -0.916888306492E+02 0.86391E+01 -0.31002E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908783262176E+02 0.81050E+00 -0.18267E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905017805848E+02 0.37655E+00 -0.55620E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904200305269E+02 0.81750E-01 -0.13312E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904153748114E+02 0.46557E-02 -0.47078E-02 712 0.125E+00 0.321E-01
DAV: 11 -0.904193506977E+02 -0.39759E-02 -0.76317E-03 608 0.551E-01 0.124E-01
DAV: 12 -0.904227633867E+02 -0.34127E-02 -0.65864E-03 645 0.459E-01 0.131E-01
DAV: 13 -0.904251906224E+02 -0.24272E-02 -0.15574E-03 864 0.303E-01 0.755E-02
DAV: 14 -0.904283265332E+02 -0.31359E-02 -0.14786E-03 631 0.194E-01 0.667E-02
DAV: 15 -0.904299858460E+02 -0.16593E-02 -0.31906E-04 680 0.115E-01 0.536E-02
DAV: 16 -0.904313466923E+02 -0.13608E-02 -0.10311E-03 661 0.197E-01 0.376E-02
DAV: 17 -0.904321831791E+02 -0.83649E-03 -0.14166E-04 661 0.807E-02 0.322E-02
DAV: 18 -0.904325007127E+02 -0.31753E-03 -0.80661E-05 666 0.448E-02 0.177E-02
DAV: 19 -0.904326862807E+02 -0.18557E-03 -0.89277E-05 639 0.523E-02 0.910E-03
DAV: 20 -0.904327142820E+02 -0.28001E-04 -0.82964E-06 512 0.197E-02 0.932E-03
DAV: 21 -0.904327524312E+02 -0.38149E-04 -0.73440E-06 404 0.149E-02 0.692E-03
DAV: 22 -0.904327644170E+02 -0.11986E-04 -0.45827E-06 480 0.168E-02 0.297E-03
DAV: 23 -0.904327676155E+02 -0.31984E-05 -0.63478E-06 496 0.144E-02
1 F= -.90432768E+02 E0= -.90438049E+02 d E =0.158430E-01