iterations/neb0_image02_iter150_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 0.363546773312E+03 0.36355E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.269957802886E+01 -0.36085E+03 -0.34787E+03 845 0.195E+02
DAV: 3 -0.955408340817E+02 -0.98240E+02 -0.97905E+02 656 0.116E+02
DAV: 4 -0.100187132732E+03 -0.46463E+01 -0.46348E+01 720 0.290E+01
DAV: 5 -0.100278415292E+03 -0.91283E-01 -0.91251E-01 752 0.366E+00 0.222E+01
DAV: 6 -0.916722502586E+02 0.86062E+01 -0.30935E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908601629293E+02 0.81209E+00 -0.18365E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904788092338E+02 0.38135E+00 -0.56131E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903920618323E+02 0.86747E-01 -0.13663E-01 712 0.167E+00 0.431E-01
DAV: 10 -0.903862477989E+02 0.58140E-02 -0.49417E-02 704 0.129E+00 0.329E-01
DAV: 11 -0.903896479693E+02 -0.34002E-02 -0.72810E-03 616 0.531E-01 0.139E-01
DAV: 12 -0.903929534129E+02 -0.33054E-02 -0.78496E-03 632 0.478E-01 0.138E-01
DAV: 13 -0.903955065781E+02 -0.25532E-02 -0.19842E-03 901 0.362E-01 0.832E-02
DAV: 14 -0.903986158594E+02 -0.31093E-02 -0.14064E-03 650 0.176E-01 0.668E-02
DAV: 15 -0.904006824837E+02 -0.20666E-02 -0.38949E-04 669 0.110E-01 0.515E-02
DAV: 16 -0.904021491443E+02 -0.14667E-02 -0.90230E-04 664 0.176E-01 0.358E-02
DAV: 17 -0.904029618081E+02 -0.81266E-03 -0.14926E-04 712 0.822E-02 0.256E-02
DAV: 18 -0.904032304785E+02 -0.26867E-03 -0.74051E-05 664 0.407E-02 0.108E-02
DAV: 19 -0.904034074280E+02 -0.17695E-03 -0.50549E-05 642 0.362E-02 0.789E-03
DAV: 20 -0.904034234236E+02 -0.15996E-04 -0.46663E-06 520 0.165E-02 0.625E-03
DAV: 21 -0.904034631782E+02 -0.39755E-04 -0.71140E-06 425 0.142E-02 0.463E-03
DAV: 22 -0.904034785467E+02 -0.15369E-04 -0.38515E-06 480 0.127E-02 0.226E-03
DAV: 23 -0.904034811182E+02 -0.25715E-05 -0.28888E-06 504 0.101E-02
1 F= -.90403481E+02 E0= -.90409775E+02 d E =0.188804E-01