iterations/neb0_image06_iter228_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 0.372879414596E+03 0.37288E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.453544249920E+01 -0.36834E+03 -0.35603E+03 866 0.194E+02
DAV: 3 -0.953574717871E+02 -0.99893E+02 -0.99529E+02 656 0.116E+02
DAV: 4 -0.100200473052E+03 -0.48430E+01 -0.48276E+01 728 0.293E+01
DAV: 5 -0.100301545441E+03 -0.10107E+00 -0.10103E+00 725 0.377E+00 0.224E+01
DAV: 6 -0.917670551422E+02 0.85345E+01 -0.30280E+01 712 0.302E+01 0.118E+01
DAV: 7 -0.909462595963E+02 0.82080E+00 -0.17601E+00 704 0.631E+00 0.481E+00
DAV: 8 -0.905711867983E+02 0.37507E+00 -0.56691E-01 696 0.420E+00 0.166E+00
DAV: 9 -0.904822175537E+02 0.88969E-01 -0.12922E-01 720 0.161E+00 0.429E-01
DAV: 10 -0.904720077436E+02 0.10210E-01 -0.36091E-02 728 0.935E-01 0.287E-01
DAV: 11 -0.904761267812E+02 -0.41190E-02 -0.10006E-02 605 0.519E-01 0.155E-01
DAV: 12 -0.904784651188E+02 -0.23383E-02 -0.29382E-03 626 0.311E-01 0.830E-02
DAV: 13 -0.904823670187E+02 -0.39019E-02 -0.17189E-03 614 0.192E-01 0.702E-02
DAV: 14 -0.904857120082E+02 -0.33450E-02 -0.99598E-04 720 0.226E-01 0.374E-02
DAV: 15 -0.904876172160E+02 -0.19052E-02 -0.29479E-04 717 0.991E-02 0.362E-02
DAV: 16 -0.904892184655E+02 -0.16012E-02 -0.35315E-04 706 0.109E-01 0.172E-02
DAV: 17 -0.904899389050E+02 -0.72044E-03 -0.10208E-04 717 0.557E-02 0.129E-02
DAV: 18 -0.904901557400E+02 -0.21683E-03 -0.19904E-05 544 0.188E-02 0.772E-03
DAV: 19 -0.904902939262E+02 -0.13819E-03 -0.23334E-05 495 0.244E-02 0.229E-03
DAV: 20 -0.904903155122E+02 -0.21586E-04 -0.32080E-06 504 0.904E-03 0.233E-03
DAV: 21 -0.904903327414E+02 -0.17229E-04 -0.25286E-06 398 0.690E-03 0.788E-04
DAV: 22 -0.904903343610E+02 -0.16196E-05 -0.54898E-07 485 0.309E-03
1 F= -.90490334E+02 E0= -.90495086E+02 d E =0.142538E-01