./iterations/neb0_image06_iter209_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 0.370029191993E+03 0.37003E+03 -0.14342E+04 640 0.799E+02
DAV: 2 0.431838688265E+01 -0.36571E+03 -0.35369E+03 858 0.193E+02
DAV: 3 -0.955346349023E+02 -0.99853E+02 -0.99508E+02 664 0.116E+02
DAV: 4 -0.100311157189E+03 -0.47765E+01 -0.47618E+01 728 0.289E+01
DAV: 5 -0.100409947142E+03 -0.98790E-01 -0.98731E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.918679122918E+02 0.85420E+01 -0.30553E+01 693 0.302E+01 0.117E+01
DAV: 7 -0.910589810501E+02 0.80893E+00 -0.17633E+00 704 0.629E+00 0.480E+00
DAV: 8 -0.906856087815E+02 0.37337E+00 -0.53997E-01 704 0.410E+00 0.167E+00
DAV: 9 -0.905948224936E+02 0.90786E-01 -0.13000E-01 712 0.158E+00 0.423E-01
DAV: 10 -0.905845515834E+02 0.10271E-01 -0.37070E-02 744 0.953E-01 0.285E-01
DAV: 11 -0.905887438147E+02 -0.41922E-02 -0.94111E-03 599 0.498E-01 0.145E-01
DAV: 12 -0.905915445322E+02 -0.28007E-02 -0.25105E-03 634 0.274E-01 0.820E-02
DAV: 13 -0.905954083987E+02 -0.38639E-02 -0.13755E-03 628 0.167E-01 0.645E-02
DAV: 14 -0.905990889869E+02 -0.36806E-02 -0.11094E-03 725 0.227E-01 0.412E-02
DAV: 15 -0.906006064485E+02 -0.15175E-02 -0.25295E-04 749 0.973E-02 0.390E-02
DAV: 16 -0.906020924943E+02 -0.14860E-02 -0.42943E-04 703 0.123E-01 0.199E-02
DAV: 17 -0.906027100398E+02 -0.61755E-03 -0.10059E-04 717 0.598E-02 0.134E-02
DAV: 18 -0.906029556895E+02 -0.24565E-03 -0.26467E-05 592 0.214E-02 0.849E-03
DAV: 19 -0.906030773836E+02 -0.12169E-03 -0.17165E-05 468 0.226E-02 0.207E-03
DAV: 20 -0.906031081727E+02 -0.30789E-04 -0.70607E-06 472 0.132E-02 0.318E-03
DAV: 21 -0.906031249527E+02 -0.16780E-04 -0.25333E-06 417 0.586E-03 0.291E-03
DAV: 22 -0.906031266842E+02 -0.17315E-05 -0.81019E-07 496 0.636E-03
1 F= -.90603127E+02 E0= -.90608304E+02 d E =0.155308E-01