iterations/neb0_image08_iter90_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 0.375199161999E+03 0.37520E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.360018029001E+01 -0.37160E+03 -0.35836E+03 869 0.196E+02
DAV: 3 -0.966809078233E+02 -0.10028E+03 -0.99939E+02 688 0.117E+02
DAV: 4 -0.101077588362E+03 -0.43967E+01 -0.43865E+01 688 0.276E+01
DAV: 5 -0.101165447552E+03 -0.87859E-01 -0.87819E-01 736 0.348E+00 0.226E+01
DAV: 6 -0.925789543441E+02 0.85865E+01 -0.30755E+01 698 0.301E+01 0.118E+01
DAV: 7 -0.917217481060E+02 0.85721E+00 -0.16796E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913431645917E+02 0.37858E+00 -0.56073E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.912608364943E+02 0.82328E-01 -0.12849E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.912515280186E+02 0.93085E-02 -0.46617E-02 720 0.111E+00 0.306E-01
DAV: 11 -0.912562326673E+02 -0.47046E-02 -0.13619E-02 624 0.599E-01 0.155E-01
DAV: 12 -0.912592158776E+02 -0.29832E-02 -0.32101E-03 606 0.254E-01 0.125E-01
DAV: 13 -0.912628067867E+02 -0.35909E-02 -0.16371E-03 736 0.237E-01 0.452E-02
DAV: 14 -0.912659168958E+02 -0.31101E-02 -0.60865E-04 645 0.124E-01 0.416E-02
DAV: 15 -0.912679177529E+02 -0.20009E-02 -0.18692E-04 653 0.756E-02 0.411E-02
DAV: 16 -0.912690628549E+02 -0.11451E-02 -0.41307E-04 674 0.102E-01 0.229E-02
DAV: 17 -0.912693705254E+02 -0.30767E-03 -0.70611E-05 704 0.603E-02 0.142E-02
DAV: 18 -0.912696348731E+02 -0.26435E-03 -0.50822E-05 626 0.321E-02 0.128E-02
DAV: 19 -0.912696990864E+02 -0.64213E-04 -0.77476E-06 488 0.190E-02 0.648E-03
DAV: 20 -0.912697364960E+02 -0.37410E-04 -0.16381E-05 424 0.252E-02 0.385E-03
DAV: 21 -0.912697541694E+02 -0.17673E-04 -0.32310E-06 472 0.956E-03 0.344E-03
DAV: 22 -0.912697650696E+02 -0.10900E-04 -0.20288E-06 418 0.867E-03 0.176E-03
DAV: 23 -0.912697677356E+02 -0.26660E-05 -0.12926E-06 472 0.611E-03
1 F= -.91269768E+02 E0= -.91274879E+02 d E =0.153327E-01