iterations/neb0_image05_iter19_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 0.358810457563E+03 0.35881E+03 -0.14229E+04 632 0.799E+02
DAV: 2 0.484478836321E+01 -0.35397E+03 -0.34208E+03 858 0.192E+02
DAV: 3 -0.916792329728E+02 -0.96524E+02 -0.95994E+02 653 0.114E+02
DAV: 4 -0.965900430393E+02 -0.49108E+01 -0.48915E+01 728 0.292E+01
DAV: 5 -0.966981747416E+02 -0.10813E+00 -0.10807E+00 704 0.384E+00 0.209E+01
DAV: 6 -0.886306793424E+02 0.80675E+01 -0.30622E+01 704 0.298E+01 0.108E+01
DAV: 7 -0.879447819962E+02 0.68590E+00 -0.15416E+00 728 0.694E+00 0.468E+00
DAV: 8 -0.876112975238E+02 0.33348E+00 -0.66996E-01 712 0.448E+00 0.168E+00
DAV: 9 -0.875360278531E+02 0.75270E-01 -0.14540E-01 720 0.197E+00 0.504E-01
DAV: 10 -0.875285178017E+02 0.75101E-02 -0.18418E-02 760 0.811E-01 0.295E-01
DAV: 11 -0.875301076424E+02 -0.15898E-02 -0.17904E-02 613 0.827E-01 0.189E-01
DAV: 12 -0.875316605856E+02 -0.15529E-02 -0.35955E-03 706 0.456E-01 0.105E-01
DAV: 13 -0.875360767939E+02 -0.44162E-02 -0.41775E-03 644 0.352E-01 0.108E-01
DAV: 14 -0.875386265307E+02 -0.25497E-02 -0.13239E-03 781 0.229E-01 0.539E-02
DAV: 15 -0.875408972237E+02 -0.22707E-02 -0.12600E-03 725 0.233E-01 0.607E-02
DAV: 16 -0.875420684560E+02 -0.11712E-02 -0.38314E-04 893 0.146E-01 0.323E-02
DAV: 17 -0.875424569298E+02 -0.38847E-03 -0.17239E-04 680 0.766E-02 0.156E-02
DAV: 18 -0.875431213522E+02 -0.66442E-03 -0.73230E-05 638 0.462E-02 0.771E-03
DAV: 19 -0.875434901383E+02 -0.36879E-03 -0.33366E-05 589 0.258E-02 0.708E-03
DAV: 20 -0.875436323752E+02 -0.14224E-03 -0.11755E-05 485 0.181E-02 0.255E-03
DAV: 21 -0.875436885101E+02 -0.56135E-04 -0.12854E-05 476 0.177E-02 0.441E-03
DAV: 22 -0.875437014328E+02 -0.12923E-04 -0.19785E-06 480 0.103E-02 0.223E-03
DAV: 23 -0.875437072199E+02 -0.57870E-05 -0.25845E-06 422 0.891E-03
1 F= -.87543707E+02 E0= -.87547588E+02 d E =0.116431E-01