./iterations/neb0_image08_iter261_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 0.374160489504E+03 0.37416E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.390736077711E+01 -0.37025E+03 -0.35787E+03 869 0.196E+02
DAV: 3 -0.965523934033E+02 -0.10046E+03 -0.10013E+03 653 0.117E+02
DAV: 4 -0.101259435643E+03 -0.47070E+01 -0.46950E+01 720 0.293E+01
DAV: 5 -0.101352048038E+03 -0.92612E-01 -0.92561E-01 736 0.372E+00 0.227E+01
DAV: 6 -0.926561912542E+02 0.86959E+01 -0.31024E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917944344506E+02 0.86176E+00 -0.17257E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914207077814E+02 0.37373E+00 -0.53656E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913399277536E+02 0.80780E-01 -0.13179E-01 736 0.154E+00 0.419E-01
DAV: 10 -0.913316509030E+02 0.82769E-02 -0.45534E-02 744 0.109E+00 0.304E-01
DAV: 11 -0.913365360813E+02 -0.48852E-02 -0.14671E-02 616 0.629E-01 0.156E-01
DAV: 12 -0.913393705547E+02 -0.28345E-02 -0.28192E-03 626 0.226E-01 0.117E-01
DAV: 13 -0.913432094089E+02 -0.38389E-02 -0.30926E-03 639 0.292E-01 0.616E-02
DAV: 14 -0.913462962465E+02 -0.30868E-02 -0.84242E-04 664 0.164E-01 0.230E-02
DAV: 15 -0.913478382327E+02 -0.15420E-02 -0.16071E-04 664 0.600E-02 0.154E-02
DAV: 16 -0.913488825823E+02 -0.10443E-02 -0.12159E-04 639 0.561E-02 0.104E-02
DAV: 17 -0.913492307011E+02 -0.34812E-03 -0.30762E-05 616 0.237E-02 0.849E-03
DAV: 18 -0.913493589658E+02 -0.12826E-03 -0.13415E-05 472 0.233E-02 0.352E-03
DAV: 19 -0.913494493617E+02 -0.90396E-04 -0.13678E-05 466 0.146E-02 0.359E-03
DAV: 20 -0.913494606753E+02 -0.11314E-04 -0.16349E-06 520 0.910E-03 0.189E-03
DAV: 21 -0.913494773809E+02 -0.16706E-04 -0.47589E-06 406 0.129E-02 0.283E-03
DAV: 22 -0.913494787721E+02 -0.13912E-05 -0.89028E-07 504 0.717E-03
1 F= -.91349479E+02 E0= -.91354505E+02 d E =0.150778E-01