iterations/neb0_image09_iter232_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 0.374085903744E+03 0.37409E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.329563992401E+01 -0.37079E+03 -0.35819E+03 869 0.196E+02
DAV: 3 -0.967450797317E+02 -0.10004E+03 -0.99711E+02 661 0.117E+02
DAV: 4 -0.101275477109E+03 -0.45304E+01 -0.45197E+01 720 0.287E+01
DAV: 5 -0.101364236485E+03 -0.88759E-01 -0.88719E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926828214746E+02 0.86814E+01 -0.30982E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918109754340E+02 0.87185E+00 -0.17187E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914345990066E+02 0.37638E+00 -0.54613E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913538639666E+02 0.80735E-01 -0.13174E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913457412485E+02 0.81227E-02 -0.44111E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913501014499E+02 -0.43602E-02 -0.11788E-02 608 0.565E-01 0.132E-01
DAV: 12 -0.913533724611E+02 -0.32710E-02 -0.29014E-03 623 0.241E-01 0.111E-01
DAV: 13 -0.913568482726E+02 -0.34758E-02 -0.13446E-03 714 0.203E-01 0.408E-02
DAV: 14 -0.913600093148E+02 -0.31610E-02 -0.58653E-04 656 0.128E-01 0.367E-02
DAV: 15 -0.913615357032E+02 -0.15264E-02 -0.13608E-04 712 0.753E-02 0.315E-02
DAV: 16 -0.913629395923E+02 -0.14039E-02 -0.33369E-04 648 0.881E-02 0.196E-02
DAV: 17 -0.913632952385E+02 -0.35565E-03 -0.80426E-05 744 0.656E-02 0.118E-02
DAV: 18 -0.913635162166E+02 -0.22098E-03 -0.36082E-05 629 0.255E-02 0.989E-03
DAV: 19 -0.913635678464E+02 -0.51630E-04 -0.88625E-06 504 0.169E-02 0.405E-03
DAV: 20 -0.913635975690E+02 -0.29723E-04 -0.70600E-06 432 0.160E-02 0.197E-03
DAV: 21 -0.913636127336E+02 -0.15165E-04 -0.23900E-06 448 0.720E-03 0.209E-03
DAV: 22 -0.913636177517E+02 -0.50181E-05 -0.88151E-07 472 0.618E-03
1 F= -.91363618E+02 E0= -.91368400E+02 d E =0.143452E-01