./iterations/neb0_image09_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 0.374479462271E+03 0.37448E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.248262338912E+01 -0.37200E+03 -0.35965E+03 877 0.196E+02
DAV: 3 -0.966802307118E+02 -0.99163E+02 -0.98825E+02 656 0.117E+02
DAV: 4 -0.101219452826E+03 -0.45392E+01 -0.45298E+01 696 0.289E+01
DAV: 5 -0.101309394111E+03 -0.89941E-01 -0.89902E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926657701225E+02 0.86436E+01 -0.30847E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918014940629E+02 0.86428E+00 -0.17099E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914248748853E+02 0.37662E+00 -0.54649E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913426079875E+02 0.82267E-01 -0.13033E-01 704 0.155E+00 0.423E-01
DAV: 10 -0.913336893612E+02 0.89186E-02 -0.45193E-02 760 0.111E+00 0.302E-01
DAV: 11 -0.913382134796E+02 -0.45241E-02 -0.12790E-02 616 0.586E-01 0.145E-01
DAV: 12 -0.913412078929E+02 -0.29944E-02 -0.29778E-03 620 0.246E-01 0.112E-01
DAV: 13 -0.913449268355E+02 -0.37189E-02 -0.14258E-03 720 0.209E-01 0.438E-02
DAV: 14 -0.913482854172E+02 -0.33586E-02 -0.62357E-04 661 0.139E-01 0.349E-02
DAV: 15 -0.913497439296E+02 -0.14585E-02 -0.14319E-04 720 0.744E-02 0.351E-02
DAV: 16 -0.913511359295E+02 -0.13920E-02 -0.36945E-04 650 0.978E-02 0.204E-02
DAV: 17 -0.913514384672E+02 -0.30254E-03 -0.64925E-05 752 0.616E-02 0.124E-02
DAV: 18 -0.913516688532E+02 -0.23039E-03 -0.39638E-05 631 0.282E-02 0.114E-02
DAV: 19 -0.913517614782E+02 -0.92625E-04 -0.10383E-05 480 0.170E-02 0.545E-03
DAV: 20 -0.913517945943E+02 -0.33116E-04 -0.99094E-06 448 0.195E-02 0.200E-03
DAV: 21 -0.913518171661E+02 -0.22572E-04 -0.34883E-06 428 0.842E-03 0.223E-03
DAV: 22 -0.913518216041E+02 -0.44380E-05 -0.79749E-07 472 0.445E-03
1 F= -.91351822E+02 E0= -.91356644E+02 d E =0.144682E-01