./iterations/neb0_image05_iter134_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 0.369404072364E+03 0.36940E+03 -0.14341E+04 640 0.799E+02
DAV: 2 0.404361289111E+01 -0.36536E+03 -0.35246E+03 866 0.193E+02
DAV: 3 -0.942367634372E+02 -0.98280E+02 -0.97884E+02 632 0.116E+02
DAV: 4 -0.990579277589E+02 -0.48212E+01 -0.48075E+01 720 0.302E+01
DAV: 5 -0.991594748411E+02 -0.10155E+00 -0.10150E+00 728 0.390E+00 0.221E+01
DAV: 6 -0.906737761123E+02 0.84857E+01 -0.29341E+01 688 0.293E+01 0.114E+01
DAV: 7 -0.897987665585E+02 0.87501E+00 -0.17979E+00 728 0.660E+00 0.472E+00
DAV: 8 -0.894088992632E+02 0.38987E+00 -0.58639E-01 720 0.435E+00 0.162E+00
DAV: 9 -0.893204516050E+02 0.88448E-01 -0.14072E-01 728 0.167E+00 0.442E-01
DAV: 10 -0.893104756361E+02 0.99760E-02 -0.30787E-02 789 0.936E-01 0.285E-01
DAV: 11 -0.893125643978E+02 -0.20888E-02 -0.70305E-03 634 0.449E-01 0.134E-01
DAV: 12 -0.893151556742E+02 -0.25913E-02 -0.14762E-03 701 0.271E-01 0.967E-02
DAV: 13 -0.893189071350E+02 -0.37515E-02 -0.21116E-03 631 0.261E-01 0.902E-02
DAV: 14 -0.893212623228E+02 -0.23552E-02 -0.34366E-04 832 0.143E-01 0.522E-02
DAV: 15 -0.893246019994E+02 -0.33397E-02 -0.10599E-03 644 0.184E-01 0.399E-02
DAV: 16 -0.893260629075E+02 -0.14609E-02 -0.17173E-04 829 0.105E-01 0.205E-02
DAV: 17 -0.893275818801E+02 -0.15190E-02 -0.31721E-04 625 0.935E-02 0.217E-02
DAV: 18 -0.893280654092E+02 -0.48353E-03 -0.49488E-05 682 0.571E-02 0.927E-03
DAV: 19 -0.893282648927E+02 -0.19948E-03 -0.53766E-05 664 0.380E-02 0.668E-03
DAV: 20 -0.893283600411E+02 -0.95148E-04 -0.55005E-06 444 0.147E-02 0.403E-03
DAV: 21 -0.893284180782E+02 -0.58037E-04 -0.12153E-05 469 0.170E-02 0.158E-03
DAV: 22 -0.893284288343E+02 -0.10756E-04 -0.20843E-06 512 0.656E-03 0.197E-03
DAV: 23 -0.893284325691E+02 -0.37348E-05 -0.68608E-07 418 0.476E-03
1 F= -.89328433E+02 E0= -.89336668E+02 d E =0.247067E-01