./iterations/neb0_image01_iter221_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 0.365466447209E+03 0.36547E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.324410256066E+01 -0.36222E+03 -0.34918E+03 839 0.196E+02
DAV: 3 -0.954146952550E+02 -0.98659E+02 -0.98313E+02 645 0.116E+02
DAV: 4 -0.100218733063E+03 -0.48040E+01 -0.47923E+01 704 0.297E+01
DAV: 5 -0.100314605978E+03 -0.95873E-01 -0.95822E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916911625807E+02 0.86234E+01 -0.30964E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908884772829E+02 0.80269E+00 -0.18292E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905127705558E+02 0.37571E+00 -0.55203E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904297323602E+02 0.83038E-01 -0.13392E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904251192248E+02 0.46131E-02 -0.46430E-02 720 0.124E+00 0.319E-01
DAV: 11 -0.904290623642E+02 -0.39431E-02 -0.71097E-03 608 0.527E-01 0.128E-01
DAV: 12 -0.904326422063E+02 -0.35798E-02 -0.69777E-03 629 0.476E-01 0.134E-01
DAV: 13 -0.904350437386E+02 -0.24015E-02 -0.17181E-03 861 0.319E-01 0.742E-02
DAV: 14 -0.904381370591E+02 -0.30933E-02 -0.13951E-03 642 0.184E-01 0.646E-02
DAV: 15 -0.904398994020E+02 -0.17623E-02 -0.32753E-04 680 0.110E-01 0.523E-02
DAV: 16 -0.904413099180E+02 -0.14105E-02 -0.98802E-04 669 0.192E-01 0.366E-02
DAV: 17 -0.904420810940E+02 -0.77118E-03 -0.13020E-04 672 0.769E-02 0.320E-02
DAV: 18 -0.904423931781E+02 -0.31208E-03 -0.10880E-04 664 0.550E-02 0.133E-02
DAV: 19 -0.904425443813E+02 -0.15120E-03 -0.53293E-05 661 0.380E-02 0.823E-03
DAV: 20 -0.904425791993E+02 -0.34818E-04 -0.40795E-06 488 0.152E-02 0.939E-03
DAV: 21 -0.904426171104E+02 -0.37911E-04 -0.75440E-06 412 0.175E-02 0.554E-03
DAV: 22 -0.904426246489E+02 -0.75385E-05 -0.72550E-06 480 0.158E-02
1 F= -.90442625E+02 E0= -.90447937E+02 d E =0.159378E-01