iterations/neb0_image07_iter135_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 0.376228789126E+03 0.37623E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.359136013194E+01 -0.37264E+03 -0.36004E+03 874 0.196E+02
DAV: 3 -0.966411888577E+02 -0.10023E+03 -0.99912E+02 677 0.117E+02
DAV: 4 -0.101077966918E+03 -0.44368E+01 -0.44232E+01 728 0.279E+01
DAV: 5 -0.101165189633E+03 -0.87223E-01 -0.87186E-01 728 0.352E+00 0.227E+01
DAV: 6 -0.925512101283E+02 0.86140E+01 -0.30730E+01 720 0.302E+01 0.119E+01
DAV: 7 -0.916877087372E+02 0.86350E+00 -0.16811E+00 720 0.613E+00 0.481E+00
DAV: 8 -0.913096996457E+02 0.37801E+00 -0.55353E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.912270296255E+02 0.82670E-01 -0.12961E-01 712 0.154E+00 0.426E-01
DAV: 10 -0.912177756995E+02 0.92539E-02 -0.45204E-02 752 0.109E+00 0.302E-01
DAV: 11 -0.912227011166E+02 -0.49254E-02 -0.13248E-02 608 0.602E-01 0.154E-01
DAV: 12 -0.912254756167E+02 -0.27745E-02 -0.28172E-03 641 0.241E-01 0.131E-01
DAV: 13 -0.912292327436E+02 -0.37571E-02 -0.22070E-03 672 0.274E-01 0.484E-02
DAV: 14 -0.912318327769E+02 -0.26000E-02 -0.48252E-04 653 0.110E-01 0.427E-02
DAV: 15 -0.912342870252E+02 -0.24542E-02 -0.23030E-04 656 0.700E-02 0.347E-02
DAV: 16 -0.912352883428E+02 -0.10013E-02 -0.31208E-04 664 0.854E-02 0.214E-02
DAV: 17 -0.912357964517E+02 -0.50811E-03 -0.75690E-05 648 0.524E-02 0.112E-02
DAV: 18 -0.912359700952E+02 -0.17364E-03 -0.27565E-05 592 0.252E-02 0.870E-03
DAV: 19 -0.912360131914E+02 -0.43096E-04 -0.95698E-06 504 0.241E-02 0.385E-03
DAV: 20 -0.912360369103E+02 -0.23719E-04 -0.69812E-06 450 0.156E-02 0.428E-03
DAV: 21 -0.912360735031E+02 -0.36593E-04 -0.41817E-06 404 0.952E-03 0.259E-03
DAV: 22 -0.912360825896E+02 -0.90865E-05 -0.21069E-06 472 0.779E-03
1 F= -.91236083E+02 E0= -.91241500E+02 d E =0.162529E-01