iterations/neb0_image06_iter300_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 0.375260515883E+03 0.37526E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.475170916435E+01 -0.37051E+03 -0.35854E+03 874 0.195E+02
DAV: 3 -0.942208932366E+02 -0.98973E+02 -0.98584E+02 653 0.116E+02
DAV: 4 -0.988330801590E+02 -0.46122E+01 -0.45933E+01 712 0.290E+01
DAV: 5 -0.989281091874E+02 -0.95029E-01 -0.94970E-01 736 0.377E+00 0.221E+01
DAV: 6 -0.906209491318E+02 0.83072E+01 -0.29575E+01 712 0.302E+01 0.115E+01
DAV: 7 -0.898162848981E+02 0.80466E+00 -0.17313E+00 720 0.647E+00 0.480E+00
DAV: 8 -0.894214333340E+02 0.39485E+00 -0.58190E-01 720 0.427E+00 0.160E+00
DAV: 9 -0.893261970440E+02 0.95236E-01 -0.12925E-01 728 0.170E+00 0.446E-01
DAV: 10 -0.893151194828E+02 0.11078E-01 -0.32615E-02 728 0.917E-01 0.298E-01
DAV: 11 -0.893174297562E+02 -0.23103E-02 -0.11649E-02 616 0.621E-01 0.177E-01
DAV: 12 -0.893187999722E+02 -0.13702E-02 -0.30019E-03 744 0.427E-01 0.107E-01
DAV: 13 -0.893233311676E+02 -0.45312E-02 -0.39550E-03 631 0.326E-01 0.112E-01
DAV: 14 -0.893257831688E+02 -0.24520E-02 -0.10943E-03 688 0.212E-01 0.415E-02
DAV: 15 -0.893294681529E+02 -0.36850E-02 -0.87891E-04 671 0.160E-01 0.429E-02
DAV: 16 -0.893315843938E+02 -0.21162E-02 -0.17900E-04 720 0.793E-02 0.231E-02
DAV: 17 -0.893329852883E+02 -0.14009E-02 -0.29984E-04 655 0.826E-02 0.179E-02
DAV: 18 -0.893333246395E+02 -0.33935E-03 -0.24045E-05 592 0.279E-02 0.129E-02
DAV: 19 -0.893334948240E+02 -0.17018E-03 -0.50384E-05 645 0.405E-02 0.577E-03
DAV: 20 -0.893335110818E+02 -0.16258E-04 -0.35745E-06 544 0.137E-02 0.407E-03
DAV: 21 -0.893335665600E+02 -0.55478E-04 -0.79026E-06 392 0.161E-02 0.201E-03
DAV: 22 -0.893335816879E+02 -0.15128E-04 -0.22391E-06 469 0.735E-03 0.197E-03
DAV: 23 -0.893335905469E+02 -0.88590E-05 -0.12057E-06 418 0.629E-03
1 F= -.89333591E+02 E0= -.89342017E+02 d E =0.252800E-01