iterations/neb0_image03_iter58_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 0.367809921957E+03 0.36781E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.390433847870E+01 -0.36391E+03 -0.35066E+03 845 0.195E+02
DAV: 3 -0.953581140275E+02 -0.99262E+02 -0.98931E+02 656 0.116E+02
DAV: 4 -0.100073342721E+03 -0.47152E+01 -0.47050E+01 704 0.294E+01
DAV: 5 -0.100165849093E+03 -0.92506E-01 -0.92465E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.915684680618E+02 0.85974E+01 -0.30703E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.907249835827E+02 0.84348E+00 -0.18638E+00 704 0.642E+00 0.483E+00
DAV: 8 -0.903198472083E+02 0.40514E+00 -0.57229E-01 704 0.436E+00 0.165E+00
DAV: 9 -0.902242059825E+02 0.95641E-01 -0.14392E-01 704 0.176E+00 0.437E-01
DAV: 10 -0.902159574215E+02 0.82486E-02 -0.48156E-02 704 0.119E+00 0.328E-01
DAV: 11 -0.902197644880E+02 -0.38071E-02 -0.80123E-03 616 0.515E-01 0.123E-01
DAV: 12 -0.902229088739E+02 -0.31444E-02 -0.51719E-03 631 0.347E-01 0.129E-01
DAV: 13 -0.902259299084E+02 -0.30210E-02 -0.16056E-03 856 0.334E-01 0.705E-02
DAV: 14 -0.902294193416E+02 -0.34894E-02 -0.11936E-03 626 0.181E-01 0.524E-02
DAV: 15 -0.902318654390E+02 -0.24461E-02 -0.36060E-04 688 0.103E-01 0.377E-02
DAV: 16 -0.902334087313E+02 -0.15433E-02 -0.51803E-04 669 0.122E-01 0.299E-02
DAV: 17 -0.902341388927E+02 -0.73016E-03 -0.10197E-04 725 0.759E-02 0.190E-02
DAV: 18 -0.902344920410E+02 -0.35315E-03 -0.11610E-04 712 0.697E-02 0.757E-03
DAV: 19 -0.902346418946E+02 -0.14985E-03 -0.20650E-05 519 0.290E-02 0.546E-03
DAV: 20 -0.902347124001E+02 -0.70505E-04 -0.13532E-05 464 0.248E-02 0.424E-03
DAV: 21 -0.902347397158E+02 -0.27316E-04 -0.22453E-05 486 0.375E-02 0.939E-03
DAV: 22 -0.902347351135E+02 0.46023E-05 -0.26996E-05 640 0.485E-02
1 F= -.90234735E+02 E0= -.90241147E+02 d E =0.192350E-01