./iterations/neb0_image02_iter273_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 0.365420592799E+03 0.36542E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.233496007975E+01 -0.36309E+03 -0.35092E+03 853 0.195E+02
DAV: 3 -0.954250719018E+02 -0.97760E+02 -0.97419E+02 632 0.116E+02
DAV: 4 -0.100211700323E+03 -0.47866E+01 -0.47753E+01 720 0.301E+01
DAV: 5 -0.100306569919E+03 -0.94870E-01 -0.94836E-01 720 0.381E+00 0.222E+01
DAV: 6 -0.916568058381E+02 0.86498E+01 -0.30944E+01 677 0.300E+01 0.117E+01
DAV: 7 -0.908455523540E+02 0.81125E+00 -0.18068E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904690469524E+02 0.37651E+00 -0.54439E-01 704 0.426E+00 0.170E+00
DAV: 9 -0.903853528101E+02 0.83694E-01 -0.13109E-01 720 0.175E+00 0.425E-01
DAV: 10 -0.903813249698E+02 0.40278E-02 -0.44968E-02 712 0.116E+00 0.326E-01
DAV: 11 -0.903859952232E+02 -0.46703E-02 -0.10257E-02 618 0.744E-01 0.125E-01
DAV: 12 -0.903878567997E+02 -0.18616E-02 -0.49796E-03 640 0.357E-01 0.119E-01
DAV: 13 -0.903910700770E+02 -0.32133E-02 -0.20950E-03 661 0.322E-01 0.860E-02
DAV: 14 -0.903940144117E+02 -0.29443E-02 -0.11681E-03 639 0.162E-01 0.678E-02
DAV: 15 -0.903956284336E+02 -0.16140E-02 -0.34577E-04 744 0.127E-01 0.316E-02
DAV: 16 -0.903971909385E+02 -0.15625E-02 -0.55907E-04 672 0.146E-01 0.366E-02
DAV: 17 -0.903977579536E+02 -0.56702E-03 -0.19669E-04 896 0.101E-01 0.239E-02
DAV: 18 -0.903978392931E+02 -0.81340E-04 -0.37752E-05 720 0.341E-02 0.168E-02
DAV: 19 -0.903980882694E+02 -0.24898E-03 -0.45472E-05 630 0.392E-02 0.690E-03
DAV: 20 -0.903981879175E+02 -0.99648E-04 -0.10714E-05 480 0.180E-02 0.419E-03
DAV: 21 -0.903982421857E+02 -0.54268E-04 -0.71464E-06 453 0.103E-02 0.378E-03
DAV: 22 -0.903982656156E+02 -0.23430E-04 -0.32633E-06 458 0.970E-03 0.232E-03
DAV: 23 -0.903982714330E+02 -0.58174E-05 -0.46790E-06 496 0.137E-02
1 F= -.90398271E+02 E0= -.90406004E+02 d E =0.231986E-01