./iterations/neb0_image03_iter112_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 0.366999042532E+03 0.36700E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.322437472555E+01 -0.36377E+03 -0.35036E+03 845 0.195E+02
DAV: 3 -0.956568057842E+02 -0.98881E+02 -0.98569E+02 664 0.116E+02
DAV: 4 -0.100188250698E+03 -0.45314E+01 -0.45219E+01 704 0.288E+01
DAV: 5 -0.100277338848E+03 -0.89088E-01 -0.89052E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916821497997E+02 0.85952E+01 -0.30618E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908337334520E+02 0.84842E+00 -0.18287E+00 704 0.641E+00 0.483E+00
DAV: 8 -0.904296808687E+02 0.40405E+00 -0.56975E-01 696 0.435E+00 0.166E+00
DAV: 9 -0.903348974516E+02 0.94783E-01 -0.13093E-01 696 0.185E+00 0.457E-01
DAV: 10 -0.903264617767E+02 0.84357E-02 -0.37693E-02 728 0.984E-01 0.334E-01
DAV: 11 -0.903291564784E+02 -0.26947E-02 -0.77842E-03 736 0.620E-01 0.149E-01
DAV: 12 -0.903310096528E+02 -0.18532E-02 -0.31120E-03 634 0.353E-01 0.112E-01
DAV: 13 -0.903357450002E+02 -0.47353E-02 -0.31095E-03 632 0.299E-01 0.850E-02
DAV: 14 -0.903399911613E+02 -0.42462E-02 -0.10356E-03 658 0.175E-01 0.429E-02
DAV: 15 -0.903419682804E+02 -0.19771E-02 -0.34180E-04 744 0.101E-01 0.248E-02
DAV: 16 -0.903436263818E+02 -0.16581E-02 -0.13985E-04 661 0.614E-02 0.119E-02
DAV: 17 -0.903446722958E+02 -0.10459E-02 -0.10943E-04 608 0.388E-02 0.756E-03
DAV: 18 -0.903449322679E+02 -0.25997E-03 -0.24389E-05 544 0.228E-02 0.423E-03
DAV: 19 -0.903450374908E+02 -0.10522E-03 -0.78555E-06 442 0.120E-02 0.211E-03
DAV: 20 -0.903450918013E+02 -0.54311E-04 -0.71095E-06 461 0.998E-03 0.174E-03
DAV: 21 -0.903451069657E+02 -0.15164E-04 -0.20973E-06 472 0.599E-03 0.630E-04
DAV: 22 -0.903451116068E+02 -0.46411E-05 -0.10355E-06 432 0.431E-03
1 F= -.90345112E+02 E0= -.90353676E+02 d E =0.256938E-01