./iterations/neb0_image08_iter136_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 0.374837514247E+03 0.37484E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.344711953687E+01 -0.37139E+03 -0.35892E+03 869 0.196E+02
DAV: 3 -0.966734465816E+02 -0.10012E+03 -0.99793E+02 669 0.117E+02
DAV: 4 -0.101164792890E+03 -0.44913E+01 -0.44804E+01 720 0.284E+01
DAV: 5 -0.101253333742E+03 -0.88541E-01 -0.88508E-01 736 0.359E+00 0.227E+01
DAV: 6 -0.926232907907E+02 0.86300E+01 -0.30798E+01 706 0.300E+01 0.119E+01
DAV: 7 -0.917636692433E+02 0.85962E+00 -0.17089E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913869469641E+02 0.37672E+00 -0.55803E-01 704 0.403E+00 0.161E+00
DAV: 9 -0.913070698463E+02 0.79877E-01 -0.12967E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.912986910264E+02 0.83788E-02 -0.44785E-02 752 0.110E+00 0.302E-01
DAV: 11 -0.913031866378E+02 -0.44956E-02 -0.12020E-02 608 0.568E-01 0.135E-01
DAV: 12 -0.913064291015E+02 -0.32425E-02 -0.29761E-03 617 0.259E-01 0.109E-01
DAV: 13 -0.913097387084E+02 -0.33096E-02 -0.95256E-04 680 0.178E-01 0.503E-02
DAV: 14 -0.913130033357E+02 -0.32646E-02 -0.99522E-04 645 0.169E-01 0.448E-02
DAV: 15 -0.913145062234E+02 -0.15029E-02 -0.20867E-04 736 0.101E-01 0.410E-02
DAV: 16 -0.913158428520E+02 -0.13366E-02 -0.42898E-04 640 0.101E-01 0.211E-02
DAV: 17 -0.913162339700E+02 -0.39112E-03 -0.73140E-05 744 0.579E-02 0.149E-02
DAV: 18 -0.913165269430E+02 -0.29297E-03 -0.61298E-05 626 0.360E-02 0.101E-02
DAV: 19 -0.913165727034E+02 -0.45760E-04 -0.61217E-06 496 0.164E-02 0.503E-03
DAV: 20 -0.913166091242E+02 -0.36421E-04 -0.11272E-05 412 0.205E-02 0.260E-03
DAV: 21 -0.913166225487E+02 -0.13425E-04 -0.24993E-06 480 0.803E-03 0.278E-03
DAV: 22 -0.913166288026E+02 -0.62539E-05 -0.93780E-07 409 0.637E-03
1 F= -.91316629E+02 E0= -.91321696E+02 d E =0.152020E-01