iterations/neb0_image03_iter23_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 0.364619907789E+03 0.36462E+03 -0.14296E+04 632 0.799E+02
DAV: 2 0.342112664872E+01 -0.36120E+03 -0.34859E+03 845 0.194E+02
DAV: 3 -0.951382379074E+02 -0.98559E+02 -0.98224E+02 685 0.115E+02
DAV: 4 -0.994915282299E+02 -0.43533E+01 -0.43416E+01 728 0.276E+01
DAV: 5 -0.995761456971E+02 -0.84617E-01 -0.84575E-01 728 0.345E+00 0.221E+01
DAV: 6 -0.910351985053E+02 0.85409E+01 -0.30481E+01 685 0.296E+01 0.115E+01
DAV: 7 -0.901945941905E+02 0.84060E+00 -0.17439E+00 728 0.644E+00 0.483E+00
DAV: 8 -0.897896225255E+02 0.40497E+00 -0.63511E-01 720 0.458E+00 0.161E+00
DAV: 9 -0.897032130750E+02 0.86409E-01 -0.13334E-01 736 0.166E+00 0.447E-01
DAV: 10 -0.896950398870E+02 0.81732E-02 -0.43633E-02 728 0.115E+00 0.326E-01
DAV: 11 -0.896987722604E+02 -0.37324E-02 -0.68721E-03 608 0.482E-01 0.124E-01
DAV: 12 -0.897019938228E+02 -0.32216E-02 -0.52554E-03 631 0.352E-01 0.124E-01
DAV: 13 -0.897051856383E+02 -0.31918E-02 -0.15420E-03 912 0.332E-01 0.768E-02
DAV: 14 -0.897084280821E+02 -0.32424E-02 -0.11201E-03 631 0.144E-01 0.544E-02
DAV: 15 -0.897108573265E+02 -0.24292E-02 -0.40868E-04 802 0.121E-01 0.292E-02
DAV: 16 -0.897122594345E+02 -0.14021E-02 -0.31371E-04 685 0.881E-02 0.284E-02
DAV: 17 -0.897130556856E+02 -0.79625E-03 -0.12985E-04 789 0.709E-02 0.103E-02
DAV: 18 -0.897133861164E+02 -0.33043E-03 -0.60482E-05 677 0.350E-02 0.102E-02
DAV: 19 -0.897134678426E+02 -0.81726E-04 -0.51196E-06 488 0.155E-02 0.529E-03
DAV: 20 -0.897135434828E+02 -0.75640E-04 -0.31334E-05 580 0.304E-02 0.797E-03
DAV: 21 -0.897135509189E+02 -0.74361E-05 -0.56370E-06 512 0.211E-02
1 F= -.89713551E+02 E0= -.89720706E+02 d E =0.214642E-01