iterations/neb0_image06_iter99_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 0.375042581148E+03 0.37504E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.360118346907E+01 -0.37144E+03 -0.35934E+03 877 0.195E+02
DAV: 3 -0.956078994809E+02 -0.99209E+02 -0.98885E+02 656 0.116E+02
DAV: 4 -0.100191719331E+03 -0.45838E+01 -0.45729E+01 704 0.289E+01
DAV: 5 -0.100285718240E+03 -0.93999E-01 -0.93959E-01 744 0.368E+00 0.226E+01
DAV: 6 -0.916832417044E+02 0.86025E+01 -0.30933E+01 698 0.306E+01 0.117E+01
DAV: 7 -0.908583974304E+02 0.82484E+00 -0.17079E+00 720 0.627E+00 0.481E+00
DAV: 8 -0.904771557242E+02 0.38124E+00 -0.53343E-01 712 0.407E+00 0.166E+00
DAV: 9 -0.903862166209E+02 0.90939E-01 -0.13088E-01 728 0.161E+00 0.421E-01
DAV: 10 -0.903760375792E+02 0.10179E-01 -0.47129E-02 720 0.112E+00 0.310E-01
DAV: 11 -0.903806094484E+02 -0.45719E-02 -0.13293E-02 621 0.632E-01 0.165E-01
DAV: 12 -0.903826614302E+02 -0.20520E-02 -0.24964E-03 655 0.253E-01 0.127E-01
DAV: 13 -0.903873558616E+02 -0.46944E-02 -0.35691E-03 679 0.374E-01 0.692E-02
DAV: 14 -0.903891107577E+02 -0.17549E-02 -0.46483E-04 704 0.133E-01 0.507E-02
DAV: 15 -0.903924539698E+02 -0.33432E-02 -0.83974E-04 636 0.165E-01 0.394E-02
DAV: 16 -0.903931766808E+02 -0.72271E-03 -0.16472E-04 701 0.694E-02 0.308E-02
DAV: 17 -0.903936807775E+02 -0.50410E-03 -0.10401E-04 660 0.636E-02 0.140E-02
DAV: 18 -0.903943825414E+02 -0.70176E-03 -0.12791E-04 636 0.539E-02 0.120E-02
DAV: 19 -0.903944478206E+02 -0.65279E-04 -0.86790E-06 520 0.206E-02 0.882E-03
DAV: 20 -0.903945238235E+02 -0.76003E-04 -0.18025E-05 456 0.232E-02 0.615E-03
DAV: 21 -0.903945605949E+02 -0.36771E-04 -0.46232E-06 477 0.123E-02 0.326E-03
DAV: 22 -0.903945811282E+02 -0.20533E-04 -0.50655E-06 411 0.129E-02 0.221E-03
DAV: 23 -0.903945851865E+02 -0.40583E-05 -0.13680E-06 512 0.604E-03
1 F= -.90394585E+02 E0= -.90399039E+02 d E =0.133603E-01