./iterations/neb0_image02_iter255_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 0.366325713133E+03 0.36633E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.734150033052E+00 -0.36559E+03 -0.35495E+03 869 0.196E+02
DAV: 3 -0.956083795777E+02 -0.96343E+02 -0.96014E+02 621 0.116E+02
DAV: 4 -0.100263671435E+03 -0.46553E+01 -0.46453E+01 720 0.299E+01
DAV: 5 -0.100356797766E+03 -0.93126E-01 -0.93099E-01 752 0.378E+00 0.222E+01
DAV: 6 -0.916758190395E+02 0.86810E+01 -0.30995E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908521271214E+02 0.82369E+00 -0.18146E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904715126438E+02 0.38061E+00 -0.55440E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903872565145E+02 0.84256E-01 -0.13411E-01 720 0.166E+00 0.426E-01
DAV: 10 -0.903829555474E+02 0.43010E-02 -0.48433E-02 712 0.123E+00 0.329E-01
DAV: 11 -0.903869875524E+02 -0.40320E-02 -0.83185E-03 624 0.638E-01 0.113E-01
DAV: 12 -0.903897976083E+02 -0.28101E-02 -0.58908E-03 640 0.378E-01 0.132E-01
DAV: 13 -0.903924930108E+02 -0.26954E-02 -0.17671E-03 861 0.316E-01 0.822E-02
DAV: 14 -0.903955765051E+02 -0.30835E-02 -0.12610E-03 620 0.164E-01 0.690E-02
DAV: 15 -0.903974224358E+02 -0.18459E-02 -0.30761E-04 680 0.104E-01 0.488E-02
DAV: 16 -0.903987786057E+02 -0.13562E-02 -0.89094E-04 680 0.173E-01 0.378E-02
DAV: 17 -0.903993708488E+02 -0.59224E-03 -0.15383E-04 808 0.881E-02 0.213E-02
DAV: 18 -0.903995509815E+02 -0.18013E-03 -0.54337E-05 704 0.369E-02 0.831E-03
DAV: 19 -0.903997991132E+02 -0.24813E-03 -0.31852E-05 550 0.258E-02 0.365E-03
DAV: 20 -0.903998418693E+02 -0.42756E-04 -0.32421E-06 504 0.110E-02 0.307E-03
DAV: 21 -0.903998931030E+02 -0.51234E-04 -0.96384E-06 406 0.165E-02 0.394E-03
DAV: 22 -0.903999013735E+02 -0.82705E-05 -0.18057E-06 496 0.815E-03
1 F= -.90399901E+02 E0= -.90407090E+02 d E =0.215671E-01