./iterations/neb0_image08_iter205_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 0.373312324105E+03 0.37331E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.348988308265E+01 -0.36982E+03 -0.35743E+03 869 0.196E+02
DAV: 3 -0.966322752036E+02 -0.10012E+03 -0.99813E+02 661 0.116E+02
DAV: 4 -0.101230774961E+03 -0.45985E+01 -0.45849E+01 720 0.288E+01
DAV: 5 -0.101321010676E+03 -0.90236E-01 -0.90178E-01 728 0.366E+00 0.227E+01
DAV: 6 -0.926480611846E+02 0.86729E+01 -0.31054E+01 709 0.301E+01 0.118E+01
DAV: 7 -0.917898223634E+02 0.85824E+00 -0.17289E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914155874310E+02 0.37423E+00 -0.53798E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913351103774E+02 0.80477E-01 -0.13220E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913272372910E+02 0.78731E-02 -0.45304E-02 752 0.109E+00 0.304E-01
DAV: 11 -0.913321598885E+02 -0.49226E-02 -0.14449E-02 616 0.627E-01 0.154E-01
DAV: 12 -0.913349088279E+02 -0.27489E-02 -0.27791E-03 628 0.241E-01 0.107E-01
DAV: 13 -0.913384876797E+02 -0.35789E-02 -0.22069E-03 631 0.241E-01 0.497E-02
DAV: 14 -0.913419293853E+02 -0.34417E-02 -0.98291E-04 661 0.197E-01 0.366E-02
DAV: 15 -0.913429748261E+02 -0.10454E-02 -0.23725E-04 688 0.927E-02 0.267E-02
DAV: 16 -0.913438057234E+02 -0.83090E-03 -0.15974E-04 685 0.784E-02 0.102E-02
DAV: 17 -0.913445782878E+02 -0.77256E-03 -0.78153E-05 650 0.380E-02 0.142E-02
DAV: 18 -0.913447923118E+02 -0.21402E-03 -0.18631E-05 560 0.241E-02 0.831E-03
DAV: 19 -0.913449204756E+02 -0.12816E-03 -0.42701E-05 615 0.362E-02 0.753E-03
DAV: 20 -0.913449319123E+02 -0.11437E-04 -0.46984E-06 528 0.212E-02 0.330E-03
DAV: 21 -0.913449411637E+02 -0.92514E-05 -0.60376E-06 415 0.129E-02
1 F= -.91344941E+02 E0= -.91349867E+02 d E =0.147780E-01