iterations/neb0_image04_iter253_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 0.366197908787E+03 0.36620E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.919636559962E+00 -0.36528E+03 -0.35405E+03 855 0.195E+02
DAV: 3 -0.958984827900E+02 -0.96818E+02 -0.96524E+02 656 0.116E+02
DAV: 4 -0.100274541952E+03 -0.43761E+01 -0.43670E+01 696 0.281E+01
DAV: 5 -0.100362155311E+03 -0.87613E-01 -0.87585E-01 728 0.354E+00 0.223E+01
DAV: 6 -0.916701370343E+02 0.86920E+01 -0.31222E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908271001835E+02 0.84304E+00 -0.18183E+00 704 0.659E+00 0.484E+00
DAV: 8 -0.904165947183E+02 0.41051E+00 -0.54770E-01 704 0.453E+00 0.178E+00
DAV: 9 -0.903249556208E+02 0.91639E-01 -0.15202E-01 720 0.209E+00 0.573E-01
DAV: 10 -0.903103383240E+02 0.14617E-01 -0.37447E-02 712 0.102E+00 0.349E-01
DAV: 11 -0.903119844419E+02 -0.16461E-02 -0.12431E-02 712 0.559E-01 0.220E-01
DAV: 12 -0.903151956681E+02 -0.32112E-02 -0.33119E-03 621 0.438E-01 0.136E-01
DAV: 13 -0.903182408540E+02 -0.30452E-02 -0.18493E-03 645 0.313E-01 0.110E-01
DAV: 14 -0.903221679529E+02 -0.39271E-02 -0.23626E-03 676 0.309E-01 0.566E-02
DAV: 15 -0.903240295375E+02 -0.18616E-02 -0.46143E-04 680 0.115E-01 0.499E-02
DAV: 16 -0.903263330276E+02 -0.23035E-02 -0.76854E-04 775 0.193E-01 0.353E-02
DAV: 17 -0.903273735980E+02 -0.10406E-02 -0.18046E-04 680 0.726E-02 0.334E-02
DAV: 18 -0.903279435778E+02 -0.56998E-03 -0.10673E-04 713 0.657E-02 0.143E-02
DAV: 19 -0.903283842023E+02 -0.44062E-03 -0.11695E-04 682 0.641E-02 0.137E-02
DAV: 20 -0.903284969141E+02 -0.11271E-03 -0.11066E-05 488 0.221E-02 0.990E-03
DAV: 21 -0.903285500544E+02 -0.53140E-04 -0.19183E-05 500 0.265E-02 0.267E-03
DAV: 22 -0.903286106128E+02 -0.60558E-04 -0.77407E-06 420 0.135E-02 0.184E-03
DAV: 23 -0.903286168890E+02 -0.62762E-05 -0.13348E-06 512 0.560E-03
1 F= -.90328617E+02 E0= -.90336807E+02 d E =0.245692E-01