iterations/neb0_image04_iter266_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 0.366943710224E+03 0.36694E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.589281492645E+00 -0.36635E+03 -0.35521E+03 858 0.195E+02
DAV: 3 -0.960395001848E+02 -0.96629E+02 -0.96334E+02 656 0.116E+02
DAV: 4 -0.100366332778E+03 -0.43268E+01 -0.43171E+01 696 0.280E+01
DAV: 5 -0.100451537091E+03 -0.85204E-01 -0.85175E-01 736 0.350E+00 0.224E+01
DAV: 6 -0.916996399008E+02 0.87519E+01 -0.31317E+01 682 0.299E+01 0.118E+01
DAV: 7 -0.908366474948E+02 0.86299E+00 -0.18281E+00 720 0.659E+00 0.486E+00
DAV: 8 -0.904279567680E+02 0.40869E+00 -0.54532E-01 704 0.465E+00 0.182E+00
DAV: 9 -0.903366676304E+02 0.91289E-01 -0.15418E-01 736 0.226E+00 0.609E-01
DAV: 10 -0.903200214092E+02 0.16646E-01 -0.42235E-02 712 0.108E+00 0.360E-01
DAV: 11 -0.903215307990E+02 -0.15094E-02 -0.15290E-02 728 0.629E-01 0.244E-01
DAV: 12 -0.903243262847E+02 -0.27955E-02 -0.31416E-03 664 0.441E-01 0.127E-01
DAV: 13 -0.903278061206E+02 -0.34798E-02 -0.28332E-03 628 0.348E-01 0.121E-01
DAV: 14 -0.903306332594E+02 -0.28271E-02 -0.16230E-03 904 0.288E-01 0.601E-02
DAV: 15 -0.903336696153E+02 -0.30364E-02 -0.73025E-04 634 0.139E-01 0.416E-02
DAV: 16 -0.903358552373E+02 -0.21856E-02 -0.33174E-04 672 0.127E-01 0.247E-02
DAV: 17 -0.903371341874E+02 -0.12790E-02 -0.26316E-04 684 0.785E-02 0.283E-02
DAV: 18 -0.903375756542E+02 -0.44147E-03 -0.72444E-05 760 0.684E-02 0.125E-02
DAV: 19 -0.903378845218E+02 -0.30887E-03 -0.10976E-04 638 0.564E-02 0.137E-02
DAV: 20 -0.903379704768E+02 -0.85955E-04 -0.67136E-06 504 0.217E-02 0.986E-03
DAV: 21 -0.903380350242E+02 -0.64547E-04 -0.39586E-05 615 0.373E-02 0.555E-03
DAV: 22 -0.903380523811E+02 -0.17357E-04 -0.31165E-06 488 0.153E-02 0.362E-03
DAV: 23 -0.903380563901E+02 -0.40089E-05 -0.34787E-06 485 0.102E-02
1 F= -.90338056E+02 E0= -.90346226E+02 d E =0.245098E-01