iterations/neb0_image05_iter62_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 0.373240756954E+03 0.37324E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.452035291256E+01 -0.36872E+03 -0.35652E+03 863 0.195E+02
DAV: 3 -0.937279044850E+02 -0.98248E+02 -0.97890E+02 640 0.116E+02
DAV: 4 -0.984985535038E+02 -0.47706E+01 -0.47568E+01 720 0.300E+01
DAV: 5 -0.986012951265E+02 -0.10274E+00 -0.10270E+00 720 0.392E+00 0.219E+01
DAV: 6 -0.903713538350E+02 0.82299E+01 -0.28726E+01 688 0.289E+01 0.112E+01
DAV: 7 -0.895262451700E+02 0.84511E+00 -0.17624E+00 728 0.655E+00 0.467E+00
DAV: 8 -0.891466478710E+02 0.37960E+00 -0.60299E-01 696 0.432E+00 0.155E+00
DAV: 9 -0.890621677921E+02 0.84480E-01 -0.12285E-01 712 0.158E+00 0.431E-01
DAV: 10 -0.890511567602E+02 0.11011E-01 -0.45101E-02 733 0.112E+00 0.324E-01
DAV: 11 -0.890534957701E+02 -0.23390E-02 -0.99181E-03 632 0.550E-01 0.122E-01
DAV: 12 -0.890557341159E+02 -0.22383E-02 -0.26214E-03 682 0.270E-01 0.105E-01
DAV: 13 -0.890610552881E+02 -0.53212E-02 -0.17435E-03 764 0.275E-01 0.669E-02
DAV: 14 -0.890637275476E+02 -0.26723E-02 -0.66611E-04 690 0.128E-01 0.370E-02
DAV: 15 -0.890665438632E+02 -0.28163E-02 -0.51307E-04 736 0.119E-01 0.287E-02
DAV: 16 -0.890676608670E+02 -0.11170E-02 -0.99710E-05 760 0.667E-02 0.126E-02
DAV: 17 -0.890687711975E+02 -0.11103E-02 -0.18119E-04 647 0.637E-02 0.161E-02
DAV: 18 -0.890689655864E+02 -0.19439E-03 -0.30682E-05 576 0.439E-02 0.850E-03
DAV: 19 -0.890690611590E+02 -0.95573E-04 -0.26479E-05 600 0.317E-02 0.587E-03
DAV: 20 -0.890691629953E+02 -0.10184E-03 -0.14055E-05 463 0.177E-02 0.554E-03
DAV: 21 -0.890691947585E+02 -0.31763E-04 -0.39953E-06 472 0.107E-02 0.381E-03
DAV: 22 -0.890692048354E+02 -0.10077E-04 -0.54657E-06 472 0.156E-02 0.231E-03
DAV: 23 -0.890692067573E+02 -0.19219E-05 -0.14771E-06 504 0.836E-03
1 F= -.89069207E+02 E0= -.89073078E+02 d E =0.116150E-01