iterations/neb0_image09_iter274_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 0.374015989190E+03 0.37402E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326348539719E+01 -0.37075E+03 -0.35811E+03 869 0.196E+02
DAV: 3 -0.967455217587E+02 -0.10001E+03 -0.99683E+02 664 0.117E+02
DAV: 4 -0.101273050776E+03 -0.45275E+01 -0.45169E+01 720 0.287E+01
DAV: 5 -0.101362003980E+03 -0.88953E-01 -0.88916E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926808371648E+02 0.86812E+01 -0.31004E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918110384314E+02 0.86980E+00 -0.17105E+00 720 0.612E+00 0.479E+00
DAV: 8 -0.914355692197E+02 0.37547E+00 -0.54459E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913549728816E+02 0.80596E-01 -0.13158E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913468123553E+02 0.81605E-02 -0.44634E-02 752 0.108E+00 0.302E-01
DAV: 11 -0.913514423982E+02 -0.46300E-02 -0.12847E-02 608 0.589E-01 0.141E-01
DAV: 12 -0.913544953455E+02 -0.30529E-02 -0.28398E-03 620 0.227E-01 0.113E-01
DAV: 13 -0.913582028893E+02 -0.37075E-02 -0.20590E-03 717 0.241E-01 0.454E-02
DAV: 14 -0.913614571624E+02 -0.32543E-02 -0.51875E-04 672 0.120E-01 0.267E-02
DAV: 15 -0.913629509085E+02 -0.14937E-02 -0.12137E-04 664 0.586E-02 0.239E-02
DAV: 16 -0.913641381595E+02 -0.11873E-02 -0.23585E-04 653 0.747E-02 0.171E-02
DAV: 17 -0.913642958031E+02 -0.15764E-03 -0.20997E-05 568 0.384E-02 0.123E-02
DAV: 18 -0.913645497776E+02 -0.25397E-03 -0.77987E-05 615 0.453E-02 0.115E-02
DAV: 19 -0.913646025047E+02 -0.52727E-04 -0.11050E-05 496 0.285E-02 0.509E-03
DAV: 20 -0.913646343827E+02 -0.31878E-04 -0.17701E-05 424 0.239E-02 0.367E-03
DAV: 21 -0.913646515708E+02 -0.17188E-04 -0.37077E-06 453 0.895E-03 0.401E-03
DAV: 22 -0.913646557718E+02 -0.42010E-05 -0.10132E-06 488 0.875E-03
1 F= -.91364656E+02 E0= -.91369359E+02 d E =0.141090E-01