./iterations/neb0_image07_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 0.372953985712E+03 0.37295E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.411268956852E+01 -0.36884E+03 -0.35791E+03 858 0.194E+02
DAV: 3 -0.963553715687E+02 -0.10047E+03 -0.10013E+03 648 0.117E+02
DAV: 4 -0.101236139347E+03 -0.48808E+01 -0.48682E+01 712 0.298E+01
DAV: 5 -0.101333471050E+03 -0.97332E-01 -0.97290E-01 728 0.379E+00 0.228E+01
DAV: 6 -0.926151289101E+02 0.87183E+01 -0.30993E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917328343798E+02 0.88229E+00 -0.17278E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.913537640849E+02 0.37907E+00 -0.53387E-01 736 0.392E+00 0.163E+00
DAV: 9 -0.912685213280E+02 0.85243E-01 -0.12983E-01 736 0.152E+00 0.424E-01
DAV: 10 -0.912590056674E+02 0.95157E-02 -0.46038E-02 776 0.110E+00 0.302E-01
DAV: 11 -0.912641399969E+02 -0.51343E-02 -0.14761E-02 610 0.637E-01 0.164E-01
DAV: 12 -0.912666824124E+02 -0.25424E-02 -0.29206E-03 631 0.238E-01 0.109E-01
DAV: 13 -0.912709452195E+02 -0.42628E-02 -0.32577E-03 633 0.288E-01 0.657E-02
DAV: 14 -0.912738922925E+02 -0.29471E-02 -0.10515E-03 688 0.192E-01 0.298E-02
DAV: 15 -0.912759303751E+02 -0.20381E-02 -0.27375E-04 650 0.758E-02 0.239E-02
DAV: 16 -0.912768608913E+02 -0.93052E-03 -0.11359E-04 704 0.657E-02 0.141E-02
DAV: 17 -0.912773913684E+02 -0.53048E-03 -0.11745E-04 637 0.505E-02 0.148E-02
DAV: 18 -0.912775108694E+02 -0.11950E-03 -0.24016E-05 624 0.351E-02 0.318E-03
DAV: 19 -0.912775915899E+02 -0.80721E-04 -0.16660E-05 417 0.206E-02 0.426E-03
DAV: 20 -0.912776123816E+02 -0.20792E-04 -0.38660E-06 496 0.895E-03 0.414E-03
DAV: 21 -0.912776180014E+02 -0.56198E-05 -0.15996E-06 426 0.964E-03
1 F= -.91277618E+02 E0= -.91282562E+02 d E =0.148325E-01