./iterations/neb0_image07_iter100_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 0.377179690634E+03 0.37718E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.339764965770E+01 -0.37378E+03 -0.36184E+03 877 0.196E+02
DAV: 3 -0.963359688433E+02 -0.99734E+02 -0.99400E+02 656 0.117E+02
DAV: 4 -0.100947967069E+03 -0.46120E+01 -0.46011E+01 696 0.290E+01
DAV: 5 -0.101040719707E+03 -0.92753E-01 -0.92715E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.924025032911E+02 0.86382E+01 -0.30695E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.915314178509E+02 0.87109E+00 -0.16759E+00 736 0.614E+00 0.481E+00
DAV: 8 -0.911498124033E+02 0.38161E+00 -0.56064E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.910658560566E+02 0.83956E-01 -0.13201E-01 728 0.155E+00 0.427E-01
DAV: 10 -0.910565258266E+02 0.93302E-02 -0.47030E-02 725 0.111E+00 0.307E-01
DAV: 11 -0.910610143689E+02 -0.44885E-02 -0.11717E-02 608 0.567E-01 0.133E-01
DAV: 12 -0.910643724850E+02 -0.33581E-02 -0.38102E-03 621 0.290E-01 0.149E-01
DAV: 13 -0.910680001957E+02 -0.36277E-02 -0.26750E-03 728 0.325E-01 0.555E-02
DAV: 14 -0.910705788693E+02 -0.25787E-02 -0.66574E-04 653 0.120E-01 0.598E-02
DAV: 15 -0.910731359295E+02 -0.25571E-02 -0.29919E-04 650 0.880E-02 0.363E-02
DAV: 16 -0.910742224507E+02 -0.10865E-02 -0.44359E-04 680 0.105E-01 0.304E-02
DAV: 17 -0.910747325773E+02 -0.51013E-03 -0.12318E-04 645 0.722E-02 0.110E-02
DAV: 18 -0.910748959730E+02 -0.16340E-03 -0.28328E-05 592 0.273E-02 0.758E-03
DAV: 19 -0.910749769803E+02 -0.81007E-04 -0.12637E-05 432 0.221E-02 0.268E-03
DAV: 20 -0.910750222488E+02 -0.45268E-04 -0.87961E-06 445 0.147E-02 0.350E-03
DAV: 21 -0.910750305500E+02 -0.83012E-05 -0.12601E-06 528 0.648E-03
1 F= -.91075031E+02 E0= -.91079962E+02 d E =0.147956E-01