./iterations/neb0_image06_iter211_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 0.372674367115E+03 0.37267E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.405456841073E+01 -0.36862E+03 -0.35617E+03 874 0.194E+02
DAV: 3 -0.954372097613E+02 -0.99492E+02 -0.99133E+02 656 0.116E+02
DAV: 4 -0.100236878909E+03 -0.47997E+01 -0.47849E+01 728 0.291E+01
DAV: 5 -0.100336788418E+03 -0.99910E-01 -0.99867E-01 744 0.375E+00 0.224E+01
DAV: 6 -0.917878481794E+02 0.85489E+01 -0.30474E+01 696 0.302E+01 0.117E+01
DAV: 7 -0.909735633767E+02 0.81428E+00 -0.17570E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.905987472410E+02 0.37482E+00 -0.55362E-01 704 0.414E+00 0.168E+00
DAV: 9 -0.905080620703E+02 0.90685E-01 -0.12994E-01 728 0.160E+00 0.429E-01
DAV: 10 -0.904977579332E+02 0.10304E-01 -0.36207E-02 744 0.937E-01 0.284E-01
DAV: 11 -0.905018362214E+02 -0.40783E-02 -0.95937E-03 605 0.508E-01 0.151E-01
DAV: 12 -0.905044015118E+02 -0.25653E-02 -0.28989E-03 626 0.307E-01 0.830E-02
DAV: 13 -0.905082735672E+02 -0.38721E-02 -0.15935E-03 631 0.186E-01 0.692E-02
DAV: 14 -0.905118709758E+02 -0.35974E-02 -0.11205E-03 693 0.237E-01 0.417E-02
DAV: 15 -0.905135362355E+02 -0.16653E-02 -0.29435E-04 744 0.105E-01 0.372E-02
DAV: 16 -0.905151187173E+02 -0.15825E-02 -0.38288E-04 674 0.114E-01 0.178E-02
DAV: 17 -0.905157971165E+02 -0.67840E-03 -0.92610E-05 717 0.525E-02 0.144E-02
DAV: 18 -0.905160477796E+02 -0.25066E-03 -0.26120E-05 568 0.216E-02 0.760E-03
DAV: 19 -0.905161750144E+02 -0.12723E-03 -0.24600E-05 498 0.271E-02 0.352E-03
DAV: 20 -0.905162011856E+02 -0.26171E-04 -0.32209E-06 480 0.120E-02 0.194E-03
DAV: 21 -0.905162180881E+02 -0.16902E-04 -0.34125E-06 398 0.787E-03 0.917E-04
DAV: 22 -0.905162192658E+02 -0.11777E-05 -0.40948E-07 536 0.460E-03
1 F= -.90516219E+02 E0= -.90520896E+02 d E =0.140292E-01