iterations/neb0_image03_iter41_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 0.369199351227E+03 0.36920E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.426129126697E+01 -0.36494E+03 -0.35178E+03 845 0.195E+02
DAV: 3 -0.952629700683E+02 -0.99524E+02 -0.99187E+02 656 0.116E+02
DAV: 4 -0.100015958149E+03 -0.47530E+01 -0.47428E+01 712 0.294E+01
DAV: 5 -0.100108309038E+03 -0.92351E-01 -0.92310E-01 728 0.370E+00 0.224E+01
DAV: 6 -0.914798487659E+02 0.86285E+01 -0.30386E+01 685 0.296E+01 0.117E+01
DAV: 7 -0.906121556672E+02 0.86769E+00 -0.18201E+00 696 0.634E+00 0.481E+00
DAV: 8 -0.902114021681E+02 0.40075E+00 -0.55697E-01 696 0.423E+00 0.167E+00
DAV: 9 -0.901172221171E+02 0.94180E-01 -0.13973E-01 704 0.167E+00 0.437E-01
DAV: 10 -0.901094600096E+02 0.77621E-02 -0.46216E-02 704 0.119E+00 0.334E-01
DAV: 11 -0.901130463611E+02 -0.35864E-02 -0.78443E-03 605 0.580E-01 0.118E-01
DAV: 12 -0.901154391648E+02 -0.23928E-02 -0.44535E-03 626 0.308E-01 0.121E-01
DAV: 13 -0.901189010856E+02 -0.34619E-02 -0.11233E-03 832 0.304E-01 0.730E-02
DAV: 14 -0.901224831355E+02 -0.35820E-02 -0.99997E-04 647 0.182E-01 0.521E-02
DAV: 15 -0.901249889756E+02 -0.25058E-02 -0.31434E-04 669 0.110E-01 0.282E-02
DAV: 16 -0.901264731836E+02 -0.14842E-02 -0.30648E-04 664 0.984E-02 0.280E-02
DAV: 17 -0.901270677951E+02 -0.59461E-03 -0.11057E-04 776 0.832E-02 0.174E-02
DAV: 18 -0.901275924214E+02 -0.52463E-03 -0.12900E-04 642 0.608E-02 0.173E-02
DAV: 19 -0.901276801429E+02 -0.87722E-04 -0.20684E-05 549 0.429E-02 0.711E-03
DAV: 20 -0.901277595288E+02 -0.79386E-04 -0.41170E-05 629 0.356E-02 0.796E-03
DAV: 21 -0.901277979479E+02 -0.38419E-04 -0.53704E-06 453 0.199E-02 0.340E-03
DAV: 22 -0.901278315009E+02 -0.33553E-04 -0.79570E-06 428 0.125E-02 0.124E-03
DAV: 23 -0.901278394093E+02 -0.79084E-05 -0.19524E-06 493 0.628E-03
1 F= -.90127839E+02 E0= -.90140621E+02 d E =0.383457E-01