iterations/neb0_image01_iter265_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 0.362810957885E+03 0.36281E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.398152004465E+01 -0.35883E+03 -0.34469E+03 820 0.195E+02
DAV: 3 -0.954711176969E+02 -0.99453E+02 -0.99096E+02 664 0.116E+02
DAV: 4 -0.100236445457E+03 -0.47653E+01 -0.47523E+01 696 0.294E+01
DAV: 5 -0.100329446513E+03 -0.93001E-01 -0.92963E-01 728 0.371E+00 0.222E+01
DAV: 6 -0.917038414606E+02 0.86256E+01 -0.30936E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908942899984E+02 0.80955E+00 -0.18336E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905155884166E+02 0.37870E+00 -0.55514E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904314858641E+02 0.84103E-01 -0.13554E-01 728 0.165E+00 0.426E-01
DAV: 10 -0.904266071483E+02 0.48787E-02 -0.45544E-02 720 0.124E+00 0.316E-01
DAV: 11 -0.904303781682E+02 -0.37710E-02 -0.64637E-03 608 0.489E-01 0.139E-01
DAV: 12 -0.904339786154E+02 -0.36004E-02 -0.72105E-03 634 0.496E-01 0.131E-01
DAV: 13 -0.904365886531E+02 -0.26100E-02 -0.16510E-03 885 0.317E-01 0.748E-02
DAV: 14 -0.904396082933E+02 -0.30196E-02 -0.12938E-03 642 0.170E-01 0.590E-02
DAV: 15 -0.904415654496E+02 -0.19572E-02 -0.37135E-04 680 0.112E-01 0.463E-02
DAV: 16 -0.904430600936E+02 -0.14946E-02 -0.84533E-04 666 0.172E-01 0.359E-02
DAV: 17 -0.904437658693E+02 -0.70578E-03 -0.12650E-04 688 0.808E-02 0.267E-02
DAV: 18 -0.904440201060E+02 -0.25424E-03 -0.11331E-04 664 0.546E-02 0.918E-03
DAV: 19 -0.904441830753E+02 -0.16297E-03 -0.29950E-05 514 0.280E-02 0.575E-03
DAV: 20 -0.904442140158E+02 -0.30940E-04 -0.51875E-06 488 0.160E-02 0.755E-03
DAV: 21 -0.904442454343E+02 -0.31419E-04 -0.53527E-06 417 0.145E-02 0.484E-03
DAV: 22 -0.904442572890E+02 -0.11855E-04 -0.51735E-06 480 0.140E-02 0.207E-03
DAV: 23 -0.904442588323E+02 -0.15433E-05 -0.16669E-06 528 0.760E-03
1 F= -.90444259E+02 E0= -.90449727E+02 d E =0.164032E-01