iterations/neb0_image03_iter210_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 0.363004687847E+03 0.36300E+03 -0.14320E+04 632 0.799E+02
DAV: 2 -0.235572644377E+00 -0.36324E+03 -0.35353E+03 858 0.195E+02
DAV: 3 -0.960213597865E+02 -0.95786E+02 -0.95470E+02 672 0.115E+02
DAV: 4 -0.100225549779E+03 -0.42042E+01 -0.41932E+01 712 0.273E+01
DAV: 5 -0.100309021724E+03 -0.83472E-01 -0.83441E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.917111398918E+02 0.85979E+01 -0.31009E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908769220175E+02 0.83422E+00 -0.17986E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904815470616E+02 0.39537E+00 -0.56842E-01 704 0.435E+00 0.169E+00
DAV: 9 -0.903867967812E+02 0.94750E-01 -0.13425E-01 704 0.171E+00 0.438E-01
DAV: 10 -0.903791556851E+02 0.76411E-02 -0.54691E-02 720 0.132E+00 0.350E-01
DAV: 11 -0.903831642620E+02 -0.40086E-02 -0.91829E-03 624 0.615E-01 0.129E-01
DAV: 12 -0.903869312811E+02 -0.37670E-02 -0.74079E-03 621 0.406E-01 0.146E-01
DAV: 13 -0.903898913837E+02 -0.29601E-02 -0.19603E-03 853 0.369E-01 0.866E-02
DAV: 14 -0.903934366082E+02 -0.35452E-02 -0.16847E-03 642 0.218E-01 0.718E-02
DAV: 15 -0.903955418352E+02 -0.21052E-02 -0.28604E-04 672 0.864E-02 0.529E-02
DAV: 16 -0.903971500760E+02 -0.16082E-02 -0.81375E-04 653 0.173E-01 0.292E-02
DAV: 17 -0.903978828096E+02 -0.73273E-03 -0.96249E-05 680 0.599E-02 0.286E-02
DAV: 18 -0.903984000110E+02 -0.51720E-03 -0.15961E-04 645 0.747E-02 0.908E-03
DAV: 19 -0.903985706956E+02 -0.17068E-03 -0.25752E-05 584 0.300E-02 0.722E-03
DAV: 20 -0.903986419780E+02 -0.71282E-04 -0.10088E-05 448 0.149E-02 0.596E-03
DAV: 21 -0.903986959901E+02 -0.54012E-04 -0.11873E-05 477 0.218E-02 0.212E-03
DAV: 22 -0.903987103432E+02 -0.14353E-04 -0.52691E-06 488 0.117E-02 0.389E-03
DAV: 23 -0.903987114776E+02 -0.11344E-05 -0.89208E-07 536 0.665E-03
1 F= -.90398711E+02 E0= -.90404906E+02 d E =0.185829E-01