./iterations/neb0_image05_iter185_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 0.369297017315E+03 0.36930E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.332081119429E+01 -0.36598E+03 -0.35333E+03 861 0.195E+02
DAV: 3 -0.953683431156E+02 -0.98689E+02 -0.98358E+02 661 0.116E+02
DAV: 4 -0.100014549902E+03 -0.46462E+01 -0.46347E+01 704 0.289E+01
DAV: 5 -0.100109003277E+03 -0.94453E-01 -0.94402E-01 728 0.365E+00 0.222E+01
DAV: 6 -0.915719479361E+02 0.85371E+01 -0.30786E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.907842697321E+02 0.78768E+00 -0.18852E+00 728 0.642E+00 0.483E+00
DAV: 8 -0.904087746886E+02 0.37550E+00 -0.53690E-01 728 0.427E+00 0.170E+00
DAV: 9 -0.903187615625E+02 0.90013E-01 -0.13745E-01 720 0.168E+00 0.430E-01
DAV: 10 -0.903106973126E+02 0.80642E-02 -0.46940E-02 728 0.123E+00 0.318E-01
DAV: 11 -0.903144391280E+02 -0.37418E-02 -0.74221E-03 624 0.536E-01 0.128E-01
DAV: 12 -0.903170277674E+02 -0.25886E-02 -0.58575E-03 610 0.426E-01 0.123E-01
DAV: 13 -0.903195995507E+02 -0.25718E-02 -0.14638E-03 888 0.292E-01 0.729E-02
DAV: 14 -0.903230935878E+02 -0.34940E-02 -0.12258E-03 636 0.151E-01 0.499E-02
DAV: 15 -0.903255850111E+02 -0.24914E-02 -0.35294E-04 720 0.994E-02 0.374E-02
DAV: 16 -0.903271934936E+02 -0.16085E-02 -0.48203E-04 661 0.119E-01 0.272E-02
DAV: 17 -0.903279398674E+02 -0.74637E-03 -0.10432E-04 680 0.665E-02 0.237E-02
DAV: 18 -0.903281486267E+02 -0.20876E-03 -0.95735E-05 672 0.543E-02 0.123E-02
DAV: 19 -0.903283011801E+02 -0.15255E-03 -0.24123E-05 522 0.340E-02 0.436E-03
DAV: 20 -0.903283818911E+02 -0.80711E-04 -0.10767E-05 456 0.157E-02 0.333E-03
DAV: 21 -0.903284116552E+02 -0.29764E-04 -0.43502E-06 472 0.908E-03 0.208E-03
DAV: 22 -0.903284228889E+02 -0.11234E-04 -0.19729E-06 453 0.688E-03 0.125E-03
DAV: 23 -0.903284246228E+02 -0.17338E-05 -0.68153E-07 504 0.390E-03
1 F= -.90328425E+02 E0= -.90336098E+02 d E =0.230196E-01