./iterations/neb0_image03_iter84_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 0.367246192677E+03 0.36725E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.283845814385E+01 -0.36441E+03 -0.35189E+03 853 0.195E+02
DAV: 3 -0.956104663039E+02 -0.98449E+02 -0.98130E+02 661 0.116E+02
DAV: 4 -0.100142119382E+03 -0.45317E+01 -0.45220E+01 720 0.287E+01
DAV: 5 -0.100230420636E+03 -0.88301E-01 -0.88266E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916402230913E+02 0.85902E+01 -0.30712E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.907964573600E+02 0.84377E+00 -0.18381E+00 704 0.639E+00 0.483E+00
DAV: 8 -0.903914182589E+02 0.40504E+00 -0.56871E-01 688 0.430E+00 0.165E+00
DAV: 9 -0.902959872547E+02 0.95431E-01 -0.13918E-01 696 0.174E+00 0.435E-01
DAV: 10 -0.902879662558E+02 0.80210E-02 -0.52046E-02 712 0.123E+00 0.341E-01
DAV: 11 -0.902919798630E+02 -0.40136E-02 -0.90905E-03 605 0.596E-01 0.118E-01
DAV: 12 -0.902947210484E+02 -0.27412E-02 -0.54207E-03 639 0.331E-01 0.131E-01
DAV: 13 -0.902982893778E+02 -0.35683E-02 -0.19948E-03 832 0.365E-01 0.811E-02
DAV: 14 -0.903016381153E+02 -0.33487E-02 -0.11882E-03 642 0.164E-01 0.651E-02
DAV: 15 -0.903038928280E+02 -0.22547E-02 -0.36054E-04 744 0.109E-01 0.363E-02
DAV: 16 -0.903057914809E+02 -0.18987E-02 -0.71211E-04 666 0.149E-01 0.386E-02
DAV: 17 -0.903064247600E+02 -0.63328E-03 -0.14638E-04 744 0.758E-02 0.232E-02
DAV: 18 -0.903067107619E+02 -0.28600E-03 -0.98755E-05 648 0.575E-02 0.760E-03
DAV: 19 -0.903068754652E+02 -0.16470E-03 -0.14890E-05 466 0.226E-02 0.613E-03
DAV: 20 -0.903069488330E+02 -0.73368E-04 -0.13108E-05 450 0.194E-02 0.550E-03
DAV: 21 -0.903069950516E+02 -0.46219E-04 -0.79820E-06 440 0.169E-02 0.329E-03
DAV: 22 -0.903070056399E+02 -0.10588E-04 -0.43738E-06 480 0.129E-02 0.248E-03
DAV: 23 -0.903070092156E+02 -0.35757E-05 -0.18390E-06 453 0.825E-03
1 F= -.90307009E+02 E0= -.90314447E+02 d E =0.223123E-01