iterations/neb0_image02_iter175_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 0.363597502950E+03 0.36360E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.107718104706E+01 -0.36252E+03 -0.35137E+03 858 0.195E+02
DAV: 3 -0.957781580830E+02 -0.96855E+02 -0.96533E+02 656 0.115E+02
DAV: 4 -0.100222900305E+03 -0.44447E+01 -0.44349E+01 712 0.285E+01
DAV: 5 -0.100309802512E+03 -0.86902E-01 -0.86874E-01 760 0.358E+00 0.222E+01
DAV: 6 -0.916700381118E+02 0.86398E+01 -0.31084E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908600725730E+02 0.80997E+00 -0.18421E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904799856562E+02 0.38009E+00 -0.55283E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903927056161E+02 0.87280E-01 -0.13759E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903871728468E+02 0.55328E-02 -0.49972E-02 704 0.129E+00 0.330E-01
DAV: 11 -0.903906763913E+02 -0.35035E-02 -0.76642E-03 616 0.565E-01 0.130E-01
DAV: 12 -0.903938892119E+02 -0.32128E-02 -0.75623E-03 648 0.458E-01 0.139E-01
DAV: 13 -0.903963129345E+02 -0.24237E-02 -0.20073E-03 896 0.354E-01 0.817E-02
DAV: 14 -0.903995054855E+02 -0.31926E-02 -0.14434E-03 634 0.179E-01 0.693E-02
DAV: 15 -0.904013911433E+02 -0.18857E-02 -0.33634E-04 664 0.104E-01 0.547E-02
DAV: 16 -0.904029061808E+02 -0.15150E-02 -0.10786E-03 669 0.195E-01 0.396E-02
DAV: 17 -0.904036317199E+02 -0.72554E-03 -0.14484E-04 680 0.828E-02 0.297E-02
DAV: 18 -0.904039603082E+02 -0.32859E-03 -0.11112E-04 672 0.513E-02 0.103E-02
DAV: 19 -0.904041258070E+02 -0.16550E-03 -0.42909E-05 653 0.331E-02 0.763E-03
DAV: 20 -0.904041553605E+02 -0.29554E-04 -0.38077E-06 520 0.148E-02 0.638E-03
DAV: 21 -0.904042023318E+02 -0.46971E-04 -0.86876E-06 417 0.149E-02 0.429E-03
DAV: 22 -0.904042122537E+02 -0.99218E-05 -0.47295E-06 488 0.132E-02
1 F= -.90404212E+02 E0= -.90410670E+02 d E =0.193720E-01