./iterations/neb0_image06_iter257_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 0.374120264216E+03 0.37412E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.517290282917E+01 -0.36895E+03 -0.35643E+03 858 0.194E+02
DAV: 3 -0.950378001986E+02 -0.10021E+03 -0.99826E+02 664 0.117E+02
DAV: 4 -0.998573653168E+02 -0.48196E+01 -0.48048E+01 736 0.290E+01
DAV: 5 -0.999582827244E+02 -0.10092E+00 -0.10087E+00 720 0.370E+00 0.225E+01
DAV: 6 -0.913982034087E+02 0.85601E+01 -0.30087E+01 696 0.304E+01 0.118E+01
DAV: 7 -0.905774052877E+02 0.82080E+00 -0.17592E+00 720 0.638E+00 0.480E+00
DAV: 8 -0.902032923604E+02 0.37411E+00 -0.54613E-01 696 0.413E+00 0.170E+00
DAV: 9 -0.901111517719E+02 0.92141E-01 -0.13199E-01 720 0.165E+00 0.433E-01
DAV: 10 -0.901013572657E+02 0.97945E-02 -0.33365E-02 776 0.909E-01 0.285E-01
DAV: 11 -0.901053975684E+02 -0.40403E-02 -0.11728E-02 608 0.608E-01 0.178E-01
DAV: 12 -0.901067934303E+02 -0.13959E-02 -0.39568E-03 656 0.398E-01 0.929E-02
DAV: 13 -0.901112656932E+02 -0.44723E-02 -0.31224E-03 614 0.297E-01 0.901E-02
DAV: 14 -0.901131918924E+02 -0.19262E-02 -0.53379E-04 896 0.187E-01 0.394E-02
DAV: 15 -0.901163636677E+02 -0.31718E-02 -0.76319E-04 619 0.148E-01 0.385E-02
DAV: 16 -0.901181303050E+02 -0.17666E-02 -0.22981E-04 874 0.104E-01 0.203E-02
DAV: 17 -0.901190996525E+02 -0.96935E-03 -0.20188E-04 677 0.674E-02 0.166E-02
DAV: 18 -0.901193774055E+02 -0.27775E-03 -0.23353E-05 549 0.265E-02 0.105E-02
DAV: 19 -0.901195007686E+02 -0.12336E-03 -0.42308E-05 634 0.381E-02 0.568E-03
DAV: 20 -0.901195439993E+02 -0.43231E-04 -0.66819E-06 463 0.220E-02 0.192E-03
DAV: 21 -0.901195545147E+02 -0.10515E-04 -0.28091E-06 464 0.833E-03 0.134E-03
DAV: 22 -0.901195603084E+02 -0.57938E-05 -0.96012E-07 426 0.618E-03
1 F= -.90119560E+02 E0= -.90124183E+02 d E =0.138677E-01