iterations/neb0_image06_iter132_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 0.374596084923E+03 0.37460E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.384438329786E+01 -0.37075E+03 -0.35881E+03 882 0.194E+02
DAV: 3 -0.957507630187E+02 -0.99595E+02 -0.99278E+02 677 0.116E+02
DAV: 4 -0.100295322901E+03 -0.45446E+01 -0.45298E+01 712 0.281E+01
DAV: 5 -0.100387568011E+03 -0.92245E-01 -0.92199E-01 744 0.355E+00 0.225E+01
DAV: 6 -0.918591927281E+02 0.85284E+01 -0.30808E+01 704 0.304E+01 0.117E+01
DAV: 7 -0.910531289408E+02 0.80606E+00 -0.17053E+00 712 0.628E+00 0.481E+00
DAV: 8 -0.906756298806E+02 0.37750E+00 -0.52833E-01 736 0.404E+00 0.167E+00
DAV: 9 -0.905839725908E+02 0.91657E-01 -0.13301E-01 728 0.161E+00 0.421E-01
DAV: 10 -0.905738630362E+02 0.10110E-01 -0.39339E-02 760 0.101E+00 0.288E-01
DAV: 11 -0.905779483703E+02 -0.40853E-02 -0.96631E-03 605 0.524E-01 0.147E-01
DAV: 12 -0.905803779209E+02 -0.24296E-02 -0.19585E-03 631 0.252E-01 0.934E-02
DAV: 13 -0.905847508194E+02 -0.43729E-02 -0.17052E-03 644 0.215E-01 0.578E-02
DAV: 14 -0.905873708353E+02 -0.26200E-02 -0.52743E-04 880 0.171E-01 0.314E-02
DAV: 15 -0.905898219908E+02 -0.24512E-02 -0.36629E-04 629 0.924E-02 0.311E-02
DAV: 16 -0.905909721416E+02 -0.11502E-02 -0.14315E-04 781 0.694E-02 0.164E-02
DAV: 17 -0.905918391444E+02 -0.86700E-03 -0.11617E-04 634 0.520E-02 0.120E-02
DAV: 18 -0.905920970356E+02 -0.25789E-03 -0.17826E-05 520 0.243E-02 0.662E-03
DAV: 19 -0.905922773809E+02 -0.18035E-03 -0.35754E-05 554 0.252E-02 0.514E-03
DAV: 20 -0.905922923847E+02 -0.15004E-04 -0.22492E-06 536 0.138E-02 0.231E-03
DAV: 21 -0.905923207875E+02 -0.28403E-04 -0.10620E-05 415 0.198E-02 0.478E-03
DAV: 22 -0.905923269400E+02 -0.61524E-05 -0.18471E-06 469 0.122E-02
1 F= -.90592327E+02 E0= -.90596404E+02 d E =0.122316E-01