./iterations/neb0_image09_iter281_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 0.374011444630E+03 0.37401E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.330529920248E+01 -0.37071E+03 -0.35807E+03 866 0.196E+02
DAV: 3 -0.967383024689E+02 -0.10004E+03 -0.99719E+02 664 0.117E+02
DAV: 4 -0.101273145650E+03 -0.45348E+01 -0.45240E+01 720 0.287E+01
DAV: 5 -0.101362275300E+03 -0.89130E-01 -0.89092E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926819485409E+02 0.86803E+01 -0.30994E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918118216168E+02 0.87013E+00 -0.17111E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914361105983E+02 0.37571E+00 -0.54651E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913554351321E+02 0.80675E-01 -0.13091E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913471820256E+02 0.82531E-02 -0.44402E-02 736 0.107E+00 0.302E-01
DAV: 11 -0.913519020893E+02 -0.47201E-02 -0.12979E-02 608 0.589E-01 0.143E-01
DAV: 12 -0.913549656474E+02 -0.30636E-02 -0.28260E-03 623 0.225E-01 0.113E-01
DAV: 13 -0.913586544268E+02 -0.36888E-02 -0.21514E-03 693 0.246E-01 0.464E-02
DAV: 14 -0.913619185956E+02 -0.32642E-02 -0.56441E-04 672 0.127E-01 0.252E-02
DAV: 15 -0.913633289057E+02 -0.14103E-02 -0.11358E-04 672 0.568E-02 0.225E-02
DAV: 16 -0.913645596522E+02 -0.12307E-02 -0.22984E-04 653 0.758E-02 0.162E-02
DAV: 17 -0.913647438960E+02 -0.18424E-03 -0.21252E-05 520 0.378E-02 0.119E-02
DAV: 18 -0.913649802636E+02 -0.23637E-03 -0.82591E-05 615 0.502E-02 0.129E-02
DAV: 19 -0.913650403948E+02 -0.60131E-04 -0.15324E-05 552 0.331E-02 0.478E-03
DAV: 20 -0.913650696093E+02 -0.29215E-04 -0.13581E-05 432 0.194E-02 0.226E-03
DAV: 21 -0.913650909213E+02 -0.21312E-04 -0.43681E-06 440 0.969E-03 0.347E-03
DAV: 22 -0.913650961817E+02 -0.52605E-05 -0.10015E-06 477 0.727E-03
1 F= -.91365096E+02 E0= -.91369814E+02 d E =0.141540E-01