iterations/neb0_image03_iter222_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 0.362550403618E+03 0.36255E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.353996263229E+00 -0.36220E+03 -0.35147E+03 850 0.195E+02
DAV: 3 -0.959956431698E+02 -0.96350E+02 -0.96029E+02 680 0.115E+02
DAV: 4 -0.100219468610E+03 -0.42238E+01 -0.42130E+01 712 0.271E+01
DAV: 5 -0.100303754712E+03 -0.84286E-01 -0.84254E-01 736 0.342E+00 0.222E+01
DAV: 6 -0.917081558780E+02 0.85956E+01 -0.30937E+01 693 0.297E+01 0.117E+01
DAV: 7 -0.908669403866E+02 0.84122E+00 -0.17996E+00 712 0.639E+00 0.485E+00
DAV: 8 -0.904695859312E+02 0.39735E+00 -0.57285E-01 688 0.441E+00 0.168E+00
DAV: 9 -0.903773387299E+02 0.92247E-01 -0.13678E-01 728 0.172E+00 0.443E-01
DAV: 10 -0.903701261944E+02 0.72125E-02 -0.53532E-02 704 0.135E+00 0.348E-01
DAV: 11 -0.903738527635E+02 -0.37266E-02 -0.81819E-03 624 0.577E-01 0.141E-01
DAV: 12 -0.903779297531E+02 -0.40770E-02 -0.86097E-03 621 0.463E-01 0.148E-01
DAV: 13 -0.903807967163E+02 -0.28670E-02 -0.21411E-03 925 0.388E-01 0.851E-02
DAV: 14 -0.903842286469E+02 -0.34319E-02 -0.16045E-03 637 0.208E-01 0.698E-02
DAV: 15 -0.903865022628E+02 -0.22736E-02 -0.41810E-04 680 0.997E-02 0.575E-02
DAV: 16 -0.903877858003E+02 -0.12835E-02 -0.59242E-04 656 0.149E-01 0.185E-02
DAV: 17 -0.903888214942E+02 -0.10357E-02 -0.14752E-04 664 0.598E-02 0.287E-02
DAV: 18 -0.903892936507E+02 -0.47216E-03 -0.60912E-05 664 0.406E-02 0.186E-02
DAV: 19 -0.903894723717E+02 -0.17872E-03 -0.90088E-05 672 0.537E-02 0.858E-03
DAV: 20 -0.903895193697E+02 -0.46998E-04 -0.88018E-06 496 0.211E-02 0.587E-03
DAV: 21 -0.903895776350E+02 -0.58265E-04 -0.12703E-05 445 0.182E-02 0.355E-03
DAV: 22 -0.903895907591E+02 -0.13124E-04 -0.24761E-06 480 0.115E-02 0.232E-03
DAV: 23 -0.903895949410E+02 -0.41819E-05 -0.22203E-06 472 0.778E-03
1 F= -.90389595E+02 E0= -.90395981E+02 d E =0.191571E-01