iterations/neb0_image01_iter220_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 0.365450469308E+03 0.36545E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.324591172615E+01 -0.36220E+03 -0.34917E+03 839 0.196E+02
DAV: 3 -0.954120250325E+02 -0.98658E+02 -0.98313E+02 645 0.116E+02
DAV: 4 -0.100217244046E+03 -0.48052E+01 -0.47935E+01 704 0.297E+01
DAV: 5 -0.100313154442E+03 -0.95910E-01 -0.95859E-01 728 0.377E+00 0.222E+01
DAV: 6 -0.916902325975E+02 0.86229E+01 -0.30973E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908881618493E+02 0.80207E+00 -0.18290E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905125599545E+02 0.37560E+00 -0.55175E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.904294323391E+02 0.83128E-01 -0.13407E-01 728 0.165E+00 0.423E-01
DAV: 10 -0.904248063228E+02 0.46260E-02 -0.46251E-02 712 0.124E+00 0.318E-01
DAV: 11 -0.904287397511E+02 -0.39334E-02 -0.70394E-03 608 0.523E-01 0.128E-01
DAV: 12 -0.904323289843E+02 -0.35892E-02 -0.70001E-03 629 0.479E-01 0.134E-01
DAV: 13 -0.904347336653E+02 -0.24047E-02 -0.17236E-03 861 0.319E-01 0.742E-02
DAV: 14 -0.904378195760E+02 -0.30859E-02 -0.13873E-03 634 0.183E-01 0.641E-02
DAV: 15 -0.904395911629E+02 -0.17716E-02 -0.32947E-04 680 0.110E-01 0.519E-02
DAV: 16 -0.904410052406E+02 -0.14141E-02 -0.97958E-04 669 0.191E-01 0.366E-02
DAV: 17 -0.904417719842E+02 -0.76674E-03 -0.12939E-04 672 0.766E-02 0.319E-02
DAV: 18 -0.904420805666E+02 -0.30858E-03 -0.10980E-04 664 0.554E-02 0.130E-02
DAV: 19 -0.904422318730E+02 -0.15131E-03 -0.51128E-05 661 0.371E-02 0.813E-03
DAV: 20 -0.904422666172E+02 -0.34744E-04 -0.40386E-06 488 0.152E-02 0.937E-03
DAV: 21 -0.904423046765E+02 -0.38059E-04 -0.76060E-06 412 0.178E-02 0.548E-03
DAV: 22 -0.904423122522E+02 -0.75757E-05 -0.74688E-06 480 0.159E-02
1 F= -.90442312E+02 E0= -.90447566E+02 d E =0.157616E-01