iterations/neb0_image02_iter267_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 0.365963446276E+03 0.36596E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.709697541043E+00 -0.36525E+03 -0.35451E+03 869 0.196E+02
DAV: 3 -0.955879225462E+02 -0.96298E+02 -0.95966E+02 624 0.116E+02
DAV: 4 -0.100247461876E+03 -0.46595E+01 -0.46496E+01 720 0.299E+01
DAV: 5 -0.100340473148E+03 -0.93011E-01 -0.92981E-01 736 0.378E+00 0.222E+01
DAV: 6 -0.916799925926E+02 0.86605E+01 -0.30924E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908543033562E+02 0.82569E+00 -0.18076E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904740323586E+02 0.38027E+00 -0.56005E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903905240930E+02 0.83508E-01 -0.13330E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.903862707812E+02 0.42533E-02 -0.48136E-02 712 0.125E+00 0.327E-01
DAV: 11 -0.903900202060E+02 -0.37494E-02 -0.74542E-03 621 0.580E-01 0.119E-01
DAV: 12 -0.903932068993E+02 -0.31867E-02 -0.68401E-03 632 0.433E-01 0.137E-01
DAV: 13 -0.903956850462E+02 -0.24781E-02 -0.20045E-03 877 0.340E-01 0.797E-02
DAV: 14 -0.903987343473E+02 -0.30493E-02 -0.13175E-03 615 0.175E-01 0.708E-02
DAV: 15 -0.904004549648E+02 -0.17206E-02 -0.29115E-04 696 0.100E-01 0.546E-02
DAV: 16 -0.904018930366E+02 -0.14381E-02 -0.10218E-03 664 0.191E-01 0.374E-02
DAV: 17 -0.904024786985E+02 -0.58566E-03 -0.11277E-04 680 0.742E-02 0.303E-02
DAV: 18 -0.904028124949E+02 -0.33380E-03 -0.11785E-04 661 0.564E-02 0.926E-03
DAV: 19 -0.904029912219E+02 -0.17873E-03 -0.35966E-05 580 0.301E-02 0.711E-03
DAV: 20 -0.904030239599E+02 -0.32738E-04 -0.33398E-06 504 0.125E-02 0.680E-03
DAV: 21 -0.904030700066E+02 -0.46047E-04 -0.10758E-05 420 0.192E-02 0.371E-03
DAV: 22 -0.904030755409E+02 -0.55343E-05 -0.52337E-06 504 0.133E-02
1 F= -.90403076E+02 E0= -.90409325E+02 d E =0.187497E-01