./iterations/neb0_image05_iter253_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 0.366716492465E+03 0.36672E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.434006257633E+01 -0.36238E+03 -0.34835E+03 842 0.195E+02
DAV: 3 -0.954668030875E+02 -0.99807E+02 -0.99461E+02 672 0.116E+02
DAV: 4 -0.100092369650E+03 -0.46256E+01 -0.46150E+01 704 0.289E+01
DAV: 5 -0.100182151612E+03 -0.89782E-01 -0.89740E-01 728 0.362E+00 0.221E+01
DAV: 6 -0.915964413076E+02 0.85857E+01 -0.31156E+01 696 0.300E+01 0.116E+01
DAV: 7 -0.907891027684E+02 0.80734E+00 -0.17542E+00 720 0.624E+00 0.482E+00
DAV: 8 -0.904144183149E+02 0.37468E+00 -0.54010E-01 736 0.424E+00 0.167E+00
DAV: 9 -0.903271989112E+02 0.87219E-01 -0.12720E-01 720 0.167E+00 0.429E-01
DAV: 10 -0.903192021182E+02 0.79968E-02 -0.42187E-02 728 0.113E+00 0.324E-01
DAV: 11 -0.903212822897E+02 -0.20802E-02 -0.87380E-03 608 0.768E-01 0.129E-01
DAV: 12 -0.903232851139E+02 -0.20028E-02 -0.82028E-03 680 0.529E-01 0.189E-01
DAV: 13 -0.903240723161E+02 -0.78720E-03 -0.84314E-04 704 0.269E-01 0.107E-01
DAV: 14 -0.903285808335E+02 -0.45085E-02 -0.57018E-03 617 0.493E-01 0.149E-01
DAV: 15 -0.903302422258E+02 -0.16614E-02 -0.97185E-04 754 0.253E-01 0.944E-02
DAV: 16 -0.903321463966E+02 -0.19042E-02 -0.17323E-03 688 0.254E-01 0.283E-02
DAV: 17 -0.903337989366E+02 -0.16525E-02 -0.33792E-04 677 0.979E-02 0.410E-02
DAV: 18 -0.903343088049E+02 -0.50987E-03 -0.77975E-05 760 0.727E-02 0.186E-02
DAV: 19 -0.903350561136E+02 -0.74731E-03 -0.13259E-04 630 0.571E-02 0.116E-02
DAV: 20 -0.903352170895E+02 -0.16098E-03 -0.21486E-05 568 0.281E-02 0.795E-03
DAV: 21 -0.903352848247E+02 -0.67735E-04 -0.91624E-06 445 0.161E-02 0.512E-03
DAV: 22 -0.903353470190E+02 -0.62194E-04 -0.67973E-06 449 0.116E-02 0.246E-03
DAV: 23 -0.903353655136E+02 -0.18495E-04 -0.56172E-06 466 0.113E-02 0.174E-03
DAV: 24 -0.903353668776E+02 -0.13639E-05 -0.89947E-07 536 0.532E-03
1 F= -.90335367E+02 E0= -.90343839E+02 d E =0.254174E-01