iterations/neb0_image05_iter232_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 0.366739498710E+03 0.36674E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.349505524771E+01 -0.36324E+03 -0.34853E+03 853 0.195E+02
DAV: 3 -0.953843016359E+02 -0.98879E+02 -0.98529E+02 672 0.116E+02
DAV: 4 -0.999609204401E+02 -0.45766E+01 -0.45650E+01 704 0.285E+01
DAV: 5 -0.100050703757E+03 -0.89783E-01 -0.89744E-01 736 0.359E+00 0.220E+01
DAV: 6 -0.915399155227E+02 0.85108E+01 -0.30916E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.907325630528E+02 0.80735E+00 -0.17260E+00 728 0.627E+00 0.481E+00
DAV: 8 -0.903570709846E+02 0.37549E+00 -0.53965E-01 720 0.426E+00 0.167E+00
DAV: 9 -0.902717474172E+02 0.85324E-01 -0.12767E-01 704 0.171E+00 0.437E-01
DAV: 10 -0.902652656422E+02 0.64818E-02 -0.43555E-02 728 0.118E+00 0.336E-01
DAV: 11 -0.902676315985E+02 -0.23660E-02 -0.63567E-03 616 0.670E-01 0.167E-01
DAV: 12 -0.902707899613E+02 -0.31584E-02 -0.10020E-02 610 0.531E-01 0.186E-01
DAV: 13 -0.902715569055E+02 -0.76694E-03 -0.31611E-03 872 0.376E-01 0.862E-02
DAV: 14 -0.902763967940E+02 -0.48399E-02 -0.20555E-03 631 0.245E-01 0.618E-02
DAV: 15 -0.902782344101E+02 -0.18376E-02 -0.25966E-04 693 0.858E-02 0.477E-02
DAV: 16 -0.902806322551E+02 -0.23978E-02 -0.64851E-04 776 0.158E-01 0.255E-02
DAV: 17 -0.902815382082E+02 -0.90595E-03 -0.98102E-05 696 0.665E-02 0.196E-02
DAV: 18 -0.902820354557E+02 -0.49725E-03 -0.13928E-04 730 0.654E-02 0.123E-02
DAV: 19 -0.902823576638E+02 -0.32221E-03 -0.39636E-05 645 0.423E-02 0.602E-03
DAV: 20 -0.902824321508E+02 -0.74487E-04 -0.14591E-05 496 0.205E-02 0.315E-03
DAV: 21 -0.902824742318E+02 -0.42081E-04 -0.72256E-06 412 0.133E-02 0.275E-03
DAV: 22 -0.902824901529E+02 -0.15921E-04 -0.35623E-06 469 0.876E-03 0.248E-03
DAV: 23 -0.902824922532E+02 -0.21003E-05 -0.87033E-07 512 0.689E-03
1 F= -.90282492E+02 E0= -.90290799E+02 d E =0.249208E-01