iterations/neb0_image08_iter154_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 0.374513894394E+03 0.37451E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.383277714245E+01 -0.37068E+03 -0.35857E+03 863 0.196E+02
DAV: 3 -0.966686907251E+02 -0.10050E+03 -0.10019E+03 669 0.117E+02
DAV: 4 -0.101238140082E+03 -0.45694E+01 -0.45567E+01 728 0.285E+01
DAV: 5 -0.101327774093E+03 -0.89634E-01 -0.89584E-01 720 0.361E+00 0.227E+01
DAV: 6 -0.926310652839E+02 0.86967E+01 -0.31014E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917680871162E+02 0.86298E+00 -0.17623E+00 712 0.619E+00 0.480E+00
DAV: 8 -0.913932977867E+02 0.37479E+00 -0.54312E-01 720 0.396E+00 0.163E+00
DAV: 9 -0.913113652335E+02 0.81933E-01 -0.13084E-01 712 0.154E+00 0.421E-01
DAV: 10 -0.913030792557E+02 0.82860E-02 -0.42873E-02 773 0.107E+00 0.294E-01
DAV: 11 -0.913076323231E+02 -0.45531E-02 -0.11449E-02 608 0.561E-01 0.134E-01
DAV: 12 -0.913107129877E+02 -0.30807E-02 -0.26048E-03 622 0.242E-01 0.104E-01
DAV: 13 -0.913141093977E+02 -0.33964E-02 -0.12792E-03 642 0.186E-01 0.443E-02
DAV: 14 -0.913174474776E+02 -0.33381E-02 -0.72994E-04 672 0.167E-01 0.341E-02
DAV: 15 -0.913187183714E+02 -0.12709E-02 -0.16654E-04 688 0.857E-02 0.336E-02
DAV: 16 -0.913201860045E+02 -0.14676E-02 -0.38786E-04 652 0.104E-01 0.213E-02
DAV: 17 -0.913205460204E+02 -0.36002E-03 -0.69090E-05 752 0.622E-02 0.129E-02
DAV: 18 -0.913207800541E+02 -0.23403E-03 -0.40297E-05 634 0.302E-02 0.105E-02
DAV: 19 -0.913208889459E+02 -0.10889E-03 -0.14520E-05 480 0.192E-02 0.532E-03
DAV: 20 -0.913209231789E+02 -0.34233E-04 -0.63090E-06 448 0.164E-02 0.221E-03
DAV: 21 -0.913209423232E+02 -0.19144E-04 -0.50072E-06 426 0.116E-02 0.228E-03
DAV: 22 -0.913209499955E+02 -0.76722E-05 -0.12467E-06 456 0.489E-03
1 F= -.91320950E+02 E0= -.91326509E+02 d E =0.166771E-01