iterations/neb0_image07_iter84_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 0.377017533868E+03 0.37702E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.351261105121E+01 -0.37350E+03 -0.36139E+03 877 0.196E+02
DAV: 3 -0.964578779787E+02 -0.99970E+02 -0.99643E+02 672 0.117E+02
DAV: 4 -0.100890721571E+03 -0.44328E+01 -0.44223E+01 696 0.283E+01
DAV: 5 -0.100978803610E+03 -0.88082E-01 -0.88044E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.923641455284E+02 0.86147E+01 -0.30714E+01 709 0.303E+01 0.119E+01
DAV: 7 -0.914951027868E+02 0.86904E+00 -0.16694E+00 720 0.615E+00 0.482E+00
DAV: 8 -0.911120947058E+02 0.38301E+00 -0.56909E-01 704 0.407E+00 0.163E+00
DAV: 9 -0.910277593252E+02 0.84335E-01 -0.13205E-01 720 0.155E+00 0.429E-01
DAV: 10 -0.910180927976E+02 0.96665E-02 -0.47217E-02 717 0.110E+00 0.307E-01
DAV: 11 -0.910227105927E+02 -0.46178E-02 -0.12013E-02 608 0.572E-01 0.140E-01
DAV: 12 -0.910259227669E+02 -0.32122E-02 -0.36607E-03 627 0.280E-01 0.148E-01
DAV: 13 -0.910295893747E+02 -0.36666E-02 -0.27359E-03 733 0.326E-01 0.548E-02
DAV: 14 -0.910321502040E+02 -0.25608E-02 -0.62493E-04 645 0.118E-01 0.587E-02
DAV: 15 -0.910346712831E+02 -0.25211E-02 -0.28428E-04 650 0.827E-02 0.345E-02
DAV: 16 -0.910358578210E+02 -0.11865E-02 -0.39547E-04 680 0.981E-02 0.278E-02
DAV: 17 -0.910364085580E+02 -0.55074E-03 -0.10964E-04 645 0.657E-02 0.107E-02
DAV: 18 -0.910365632001E+02 -0.15464E-03 -0.24307E-05 568 0.250E-02 0.716E-03
DAV: 19 -0.910366401067E+02 -0.76907E-04 -0.12961E-05 440 0.224E-02 0.244E-03
DAV: 20 -0.910366805786E+02 -0.40472E-04 -0.77046E-06 461 0.141E-02 0.403E-03
DAV: 21 -0.910366905984E+02 -0.10020E-04 -0.12171E-06 480 0.736E-03 0.268E-03
DAV: 22 -0.910366999681E+02 -0.93697E-05 -0.62129E-06 389 0.170E-02
1 F= -.91036700E+02 E0= -.91041739E+02 d E =0.151167E-01