./iterations/neb0_image06_iter289_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 0.375746648297E+03 0.37575E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.539698982768E+01 -0.37035E+03 -0.35783E+03 869 0.195E+02
DAV: 3 -0.942642288527E+02 -0.99661E+02 -0.99256E+02 648 0.116E+02
DAV: 4 -0.990471720979E+02 -0.47829E+01 -0.47636E+01 720 0.296E+01
DAV: 5 -0.991441515044E+02 -0.96979E-01 -0.96927E-01 720 0.381E+00 0.223E+01
DAV: 6 -0.907407389836E+02 0.84034E+01 -0.29713E+01 696 0.303E+01 0.116E+01
DAV: 7 -0.898981269602E+02 0.84261E+00 -0.16696E+00 712 0.637E+00 0.482E+00
DAV: 8 -0.895028742041E+02 0.39525E+00 -0.59241E-01 704 0.425E+00 0.158E+00
DAV: 9 -0.894140131236E+02 0.88861E-01 -0.12550E-01 712 0.161E+00 0.440E-01
DAV: 10 -0.894033613757E+02 0.10652E-01 -0.39652E-02 720 0.987E-01 0.303E-01
DAV: 11 -0.894069798283E+02 -0.36185E-02 -0.11045E-02 608 0.595E-01 0.165E-01
DAV: 12 -0.894085753452E+02 -0.15955E-02 -0.29258E-03 680 0.335E-01 0.934E-02
DAV: 13 -0.894132293475E+02 -0.46540E-02 -0.26696E-03 609 0.262E-01 0.815E-02
DAV: 14 -0.894154295532E+02 -0.22002E-02 -0.58128E-04 952 0.200E-01 0.342E-02
DAV: 15 -0.894186683502E+02 -0.32388E-02 -0.60247E-04 626 0.125E-01 0.340E-02
DAV: 16 -0.894204816587E+02 -0.18133E-02 -0.17727E-04 693 0.852E-02 0.179E-02
DAV: 17 -0.894216775398E+02 -0.11959E-02 -0.28324E-04 677 0.850E-02 0.221E-02
DAV: 18 -0.894219082215E+02 -0.23068E-03 -0.42352E-05 656 0.525E-02 0.833E-03
DAV: 19 -0.894220064882E+02 -0.98267E-04 -0.27854E-05 576 0.279E-02 0.359E-03
DAV: 20 -0.894220851356E+02 -0.78647E-04 -0.62273E-06 434 0.117E-02 0.273E-03
DAV: 21 -0.894221184485E+02 -0.33313E-04 -0.38758E-06 461 0.840E-03 0.168E-03
DAV: 22 -0.894221302045E+02 -0.11756E-04 -0.21055E-06 418 0.682E-03 0.819E-04
DAV: 23 -0.894221326678E+02 -0.24633E-05 -0.60548E-07 488 0.379E-03
1 F= -.89422133E+02 E0= -.89428485E+02 d E =0.190582E-01