./iterations/neb0_image08_iter157_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 0.374007259741E+03 0.37401E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.374212742467E+01 -0.37027E+03 -0.35817E+03 863 0.196E+02
DAV: 3 -0.966529437178E+02 -0.10040E+03 -0.10009E+03 669 0.117E+02
DAV: 4 -0.101230077211E+03 -0.45771E+01 -0.45635E+01 720 0.285E+01
DAV: 5 -0.101320207294E+03 -0.90130E-01 -0.90074E-01 712 0.361E+00 0.227E+01
DAV: 6 -0.926364746146E+02 0.86837E+01 -0.31040E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917777418878E+02 0.85873E+00 -0.17560E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.914035805988E+02 0.37416E+00 -0.53777E-01 720 0.394E+00 0.163E+00
DAV: 9 -0.913222171161E+02 0.81363E-01 -0.13176E-01 720 0.155E+00 0.421E-01
DAV: 10 -0.913141302441E+02 0.80869E-02 -0.43788E-02 776 0.109E+00 0.296E-01
DAV: 11 -0.913186408533E+02 -0.45106E-02 -0.12043E-02 608 0.576E-01 0.134E-01
DAV: 12 -0.913216624178E+02 -0.30216E-02 -0.27117E-03 633 0.249E-01 0.104E-01
DAV: 13 -0.913250571036E+02 -0.33947E-02 -0.12803E-03 642 0.189E-01 0.450E-02
DAV: 14 -0.913283663016E+02 -0.33092E-02 -0.72535E-04 672 0.169E-01 0.344E-02
DAV: 15 -0.913296502843E+02 -0.12840E-02 -0.18886E-04 688 0.878E-02 0.360E-02
DAV: 16 -0.913310051673E+02 -0.13549E-02 -0.34054E-04 653 0.991E-02 0.172E-02
DAV: 17 -0.913314373750E+02 -0.43221E-03 -0.49974E-05 656 0.479E-02 0.145E-02
DAV: 18 -0.913316538511E+02 -0.21648E-03 -0.47814E-05 648 0.377E-02 0.119E-02
DAV: 19 -0.913317697199E+02 -0.11587E-03 -0.17207E-05 461 0.234E-02 0.492E-03
DAV: 20 -0.913318025372E+02 -0.32817E-04 -0.63268E-06 496 0.122E-02 0.267E-03
DAV: 21 -0.913318282629E+02 -0.25726E-04 -0.36219E-06 412 0.105E-02 0.973E-04
DAV: 22 -0.913318377818E+02 -0.95189E-05 -0.20522E-06 448 0.594E-03
1 F= -.91331838E+02 E0= -.91337138E+02 d E =0.158993E-01