./iterations/neb0_image05_iter118_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 0.371583214680E+03 0.37158E+03 -0.14295E+04 632 0.799E+02
DAV: 2 0.479917830781E+01 -0.36678E+03 -0.35434E+03 869 0.194E+02
DAV: 3 -0.939816974966E+02 -0.98781E+02 -0.98397E+02 629 0.116E+02
DAV: 4 -0.988089621413E+02 -0.48273E+01 -0.48137E+01 720 0.304E+01
DAV: 5 -0.989115512568E+02 -0.10259E+00 -0.10253E+00 728 0.394E+00 0.218E+01
DAV: 6 -0.905691404375E+02 0.83424E+01 -0.28842E+01 669 0.288E+01 0.112E+01
DAV: 7 -0.897044567602E+02 0.86468E+00 -0.17730E+00 736 0.661E+00 0.469E+00
DAV: 8 -0.893150385467E+02 0.38942E+00 -0.61524E-01 720 0.445E+00 0.157E+00
DAV: 9 -0.892318957138E+02 0.83143E-01 -0.12742E-01 728 0.164E+00 0.445E-01
DAV: 10 -0.892208290374E+02 0.11067E-01 -0.50195E-02 733 0.122E+00 0.337E-01
DAV: 11 -0.892229172256E+02 -0.20882E-02 -0.10620E-02 645 0.589E-01 0.119E-01
DAV: 12 -0.892249806421E+02 -0.20634E-02 -0.34649E-03 671 0.305E-01 0.121E-01
DAV: 13 -0.892303803718E+02 -0.53997E-02 -0.20051E-03 770 0.319E-01 0.662E-02
DAV: 14 -0.892329542719E+02 -0.25739E-02 -0.82915E-04 672 0.133E-01 0.499E-02
DAV: 15 -0.892357909141E+02 -0.28366E-02 -0.64659E-04 733 0.148E-01 0.295E-02
DAV: 16 -0.892369561511E+02 -0.11652E-02 -0.12246E-04 696 0.574E-02 0.228E-02
DAV: 17 -0.892379850643E+02 -0.10289E-02 -0.14948E-04 668 0.610E-02 0.102E-02
DAV: 18 -0.892384053520E+02 -0.42029E-03 -0.52352E-05 682 0.355E-02 0.826E-03
DAV: 19 -0.892384939777E+02 -0.88626E-04 -0.86066E-06 488 0.190E-02 0.402E-03
DAV: 20 -0.892385914383E+02 -0.97461E-04 -0.22250E-05 489 0.245E-02 0.642E-03
DAV: 21 -0.892386185063E+02 -0.27068E-04 -0.43306E-06 480 0.126E-02 0.362E-03
DAV: 22 -0.892386243302E+02 -0.58239E-05 -0.42122E-06 512 0.111E-02
1 F= -.89238624E+02 E0= -.89242806E+02 d E =0.125459E-01