iterations/neb0_image05_iter221_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 0.368996937928E+03 0.36900E+03 -0.14309E+04 624 0.799E+02
DAV: 2 0.339050337464E+01 -0.36561E+03 -0.35238E+03 856 0.195E+02
DAV: 3 -0.955998871856E+02 -0.98990E+02 -0.98656E+02 661 0.117E+02
DAV: 4 -0.100146465521E+03 -0.45466E+01 -0.45371E+01 704 0.287E+01
DAV: 5 -0.100235923162E+03 -0.89458E-01 -0.89420E-01 728 0.359E+00 0.223E+01
DAV: 6 -0.916183555462E+02 0.86176E+01 -0.31014E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.907776612730E+02 0.84069E+00 -0.17329E+00 720 0.623E+00 0.483E+00
DAV: 8 -0.903978606494E+02 0.37980E+00 -0.55286E-01 728 0.425E+00 0.163E+00
DAV: 9 -0.903158053132E+02 0.82055E-01 -0.13065E-01 720 0.166E+00 0.433E-01
DAV: 10 -0.903092844963E+02 0.65208E-02 -0.46596E-02 752 0.127E+00 0.321E-01
DAV: 11 -0.903124502860E+02 -0.31658E-02 -0.72617E-03 616 0.552E-01 0.136E-01
DAV: 12 -0.903151707797E+02 -0.27205E-02 -0.70899E-03 621 0.482E-01 0.127E-01
DAV: 13 -0.903179264543E+02 -0.27557E-02 -0.16965E-03 872 0.316E-01 0.813E-02
DAV: 14 -0.903211843127E+02 -0.32579E-02 -0.14623E-03 623 0.167E-01 0.602E-02
DAV: 15 -0.903235509560E+02 -0.23666E-02 -0.40889E-04 704 0.116E-01 0.440E-02
DAV: 16 -0.903254543777E+02 -0.19034E-02 -0.92635E-04 669 0.175E-01 0.405E-02
DAV: 17 -0.903261241802E+02 -0.66980E-03 -0.14029E-04 776 0.858E-02 0.262E-02
DAV: 18 -0.903263196058E+02 -0.19543E-03 -0.69488E-05 701 0.435E-02 0.103E-02
DAV: 19 -0.903266254476E+02 -0.30584E-03 -0.69687E-05 617 0.432E-02 0.949E-03
DAV: 20 -0.903266469342E+02 -0.21487E-04 -0.51861E-06 520 0.159E-02 0.763E-03
DAV: 21 -0.903266883173E+02 -0.41383E-04 -0.10459E-05 412 0.192E-02 0.410E-03
DAV: 22 -0.903267018181E+02 -0.13501E-04 -0.51445E-06 477 0.127E-02 0.285E-03
DAV: 23 -0.903267034434E+02 -0.16252E-05 -0.21606E-06 504 0.898E-03
1 F= -.90326703E+02 E0= -.90331166E+02 d E =0.133880E-01