iterations/neb0_image08_iter283_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 0.374859363741E+03 0.37486E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.429103202194E+01 -0.37057E+03 -0.35826E+03 869 0.196E+02
DAV: 3 -0.963561615623E+02 -0.10065E+03 -0.10032E+03 648 0.117E+02
DAV: 4 -0.101247117816E+03 -0.48910E+01 -0.48796E+01 712 0.301E+01
DAV: 5 -0.101343862159E+03 -0.96744E-01 -0.96705E-01 720 0.384E+00 0.228E+01
DAV: 6 -0.926622851781E+02 0.86816E+01 -0.30771E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917872523011E+02 0.87503E+00 -0.17076E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914120778691E+02 0.37517E+00 -0.54874E-01 728 0.401E+00 0.161E+00
DAV: 9 -0.913324128956E+02 0.79665E-01 -0.12929E-01 736 0.154E+00 0.421E-01
DAV: 10 -0.913240025869E+02 0.84103E-02 -0.45009E-02 733 0.109E+00 0.305E-01
DAV: 11 -0.913287990488E+02 -0.47965E-02 -0.14419E-02 608 0.617E-01 0.156E-01
DAV: 12 -0.913317357376E+02 -0.29367E-02 -0.28765E-03 634 0.233E-01 0.111E-01
DAV: 13 -0.913355115677E+02 -0.37758E-02 -0.25966E-03 639 0.266E-01 0.556E-02
DAV: 14 -0.913387444052E+02 -0.32328E-02 -0.87884E-04 664 0.175E-01 0.274E-02
DAV: 15 -0.913401350578E+02 -0.13907E-02 -0.17951E-04 680 0.715E-02 0.201E-02
DAV: 16 -0.913410723995E+02 -0.93734E-03 -0.14319E-04 698 0.719E-02 0.111E-02
DAV: 17 -0.913416008575E+02 -0.52846E-03 -0.46608E-05 656 0.299E-02 0.114E-02
DAV: 18 -0.913417374193E+02 -0.13656E-03 -0.12425E-05 504 0.222E-02 0.615E-03
DAV: 19 -0.913418914895E+02 -0.15407E-03 -0.27945E-05 513 0.238E-02 0.461E-03
DAV: 20 -0.913419054474E+02 -0.13958E-04 -0.19871E-06 520 0.106E-02 0.274E-03
DAV: 21 -0.913419251059E+02 -0.19658E-04 -0.57268E-06 403 0.146E-02 0.261E-03
DAV: 22 -0.913419301184E+02 -0.50124E-05 -0.11172E-06 477 0.713E-03
1 F= -.91341930E+02 E0= -.91346626E+02 d E =0.140873E-01