iterations/neb0_image08_iter4_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 0.367288203028E+03 0.36729E+03 -0.14234E+04 624 0.799E+02
DAV: 2 0.297805081463E+01 -0.36431E+03 -0.35179E+03 877 0.194E+02
DAV: 3 -0.952374341939E+02 -0.98215E+02 -0.97838E+02 688 0.115E+02
DAV: 4 -0.996649886435E+02 -0.44276E+01 -0.44135E+01 704 0.277E+01
DAV: 5 -0.997564018256E+02 -0.91413E-01 -0.91367E-01 736 0.353E+00 0.221E+01
DAV: 6 -0.912712602929E+02 0.84851E+01 -0.31233E+01 690 0.307E+01 0.116E+01
DAV: 7 -0.904668631819E+02 0.80440E+00 -0.16117E+00 712 0.648E+00 0.482E+00
DAV: 8 -0.900933616550E+02 0.37350E+00 -0.61456E-01 696 0.426E+00 0.165E+00
DAV: 9 -0.900065865230E+02 0.86775E-01 -0.14281E-01 728 0.181E+00 0.480E-01
DAV: 10 -0.899974652405E+02 0.91213E-02 -0.17673E-02 800 0.687E-01 0.282E-01
DAV: 11 -0.899987011954E+02 -0.12360E-02 -0.15007E-02 608 0.712E-01 0.186E-01
DAV: 12 -0.900012212844E+02 -0.25201E-02 -0.55044E-03 696 0.467E-01 0.110E-01
DAV: 13 -0.900051162893E+02 -0.38950E-02 -0.34127E-03 600 0.306E-01 0.104E-01
DAV: 14 -0.900080525117E+02 -0.29362E-02 -0.12296E-03 647 0.183E-01 0.386E-02
DAV: 15 -0.900110455437E+02 -0.29930E-02 -0.78966E-04 688 0.161E-01 0.422E-02
DAV: 16 -0.900124532226E+02 -0.14077E-02 -0.23263E-04 680 0.870E-02 0.238E-02
DAV: 17 -0.900134958107E+02 -0.10426E-02 -0.22318E-04 714 0.836E-02 0.198E-02
DAV: 18 -0.900137951130E+02 -0.29930E-03 -0.42914E-05 688 0.464E-02 0.153E-02
DAV: 19 -0.900139748311E+02 -0.17972E-03 -0.56904E-05 629 0.462E-02 0.622E-03
DAV: 20 -0.900140493884E+02 -0.74557E-04 -0.11151E-05 461 0.219E-02 0.314E-03
DAV: 21 -0.900140954403E+02 -0.46052E-04 -0.88034E-06 401 0.133E-02 0.261E-03
DAV: 22 -0.900141108596E+02 -0.15419E-04 -0.36481E-06 474 0.934E-03 0.203E-03
DAV: 23 -0.900141145086E+02 -0.36490E-05 -0.16394E-06 447 0.849E-03
1 F= -.90014115E+02 E0= -.90020507E+02 d E =0.191764E-01