iterations/neb0_image01_iter56_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 0.366742350966E+03 0.36674E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.345808514360E+01 -0.36328E+03 -0.34986E+03 839 0.195E+02
DAV: 3 -0.956313440548E+02 -0.99089E+02 -0.98747E+02 672 0.116E+02
DAV: 4 -0.100204526800E+03 -0.45732E+01 -0.45635E+01 685 0.287E+01
DAV: 5 -0.100295985276E+03 -0.91458E-01 -0.91405E-01 744 0.362E+00 0.222E+01
DAV: 6 -0.916737310036E+02 0.86223E+01 -0.31172E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908618048151E+02 0.81193E+00 -0.18294E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904805912813E+02 0.38121E+00 -0.55526E-01 704 0.426E+00 0.168E+00
DAV: 9 -0.903945888195E+02 0.86002E-01 -0.13771E-01 696 0.165E+00 0.429E-01
DAV: 10 -0.903888963144E+02 0.56925E-02 -0.45921E-02 744 0.126E+00 0.317E-01
DAV: 11 -0.903927035121E+02 -0.38072E-02 -0.68832E-03 608 0.481E-01 0.144E-01
DAV: 12 -0.903961557625E+02 -0.34523E-02 -0.66986E-03 632 0.471E-01 0.124E-01
DAV: 13 -0.903989757104E+02 -0.28199E-02 -0.11907E-03 800 0.293E-01 0.783E-02
DAV: 14 -0.904019322005E+02 -0.29565E-02 -0.16571E-03 631 0.197E-01 0.619E-02
DAV: 15 -0.904041127326E+02 -0.21805E-02 -0.46275E-04 736 0.145E-01 0.440E-02
DAV: 16 -0.904052243840E+02 -0.11117E-02 -0.61189E-04 669 0.139E-01 0.346E-02
DAV: 17 -0.904061641734E+02 -0.93979E-03 -0.18198E-04 734 0.895E-02 0.222E-02
DAV: 18 -0.904063295608E+02 -0.16539E-03 -0.44953E-05 704 0.337E-02 0.151E-02
DAV: 19 -0.904065905994E+02 -0.26104E-03 -0.53479E-05 627 0.383E-02 0.363E-03
DAV: 20 -0.904066501856E+02 -0.59586E-04 -0.53030E-06 480 0.124E-02 0.413E-03
DAV: 21 -0.904066939251E+02 -0.43739E-04 -0.46699E-06 428 0.106E-02 0.315E-03
DAV: 22 -0.904067154167E+02 -0.21492E-04 -0.40958E-06 477 0.877E-03 0.231E-03
DAV: 23 -0.904067176863E+02 -0.22696E-05 -0.12608E-06 520 0.671E-03
1 F= -.90406718E+02 E0= -.90411767E+02 d E =0.151487E-01