iterations/neb0_image01_iter214_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 0.365707655163E+03 0.36571E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.324623578525E+01 -0.36246E+03 -0.34943E+03 839 0.196E+02
DAV: 3 -0.954314126746E+02 -0.98678E+02 -0.98333E+02 645 0.116E+02
DAV: 4 -0.100230853860E+03 -0.47994E+01 -0.47877E+01 704 0.297E+01
DAV: 5 -0.100326583767E+03 -0.95730E-01 -0.95680E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916945063549E+02 0.86321E+01 -0.30908E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908875401285E+02 0.80697E+00 -0.18315E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905115660270E+02 0.37597E+00 -0.55295E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904290946090E+02 0.82471E-01 -0.13271E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904245790188E+02 0.45156E-02 -0.47317E-02 712 0.124E+00 0.323E-01
DAV: 11 -0.904286889195E+02 -0.41099E-02 -0.78871E-03 608 0.576E-01 0.120E-01
DAV: 12 -0.904320804977E+02 -0.33916E-02 -0.65679E-03 629 0.445E-01 0.133E-01
DAV: 13 -0.904345167097E+02 -0.24362E-02 -0.16652E-03 853 0.313E-01 0.754E-02
DAV: 14 -0.904377116894E+02 -0.31950E-02 -0.14837E-03 642 0.195E-01 0.704E-02
DAV: 15 -0.904393178218E+02 -0.16061E-02 -0.29424E-04 680 0.112E-01 0.557E-02
DAV: 16 -0.904407095817E+02 -0.13918E-02 -0.11245E-03 661 0.206E-01 0.390E-02
DAV: 17 -0.904415182153E+02 -0.80863E-03 -0.14442E-04 661 0.836E-02 0.333E-02
DAV: 18 -0.904418486719E+02 -0.33046E-03 -0.90407E-05 680 0.474E-02 0.176E-02
DAV: 19 -0.904420219020E+02 -0.17323E-03 -0.91955E-05 645 0.531E-02 0.100E-02
DAV: 20 -0.904420490994E+02 -0.27197E-04 -0.80517E-06 512 0.192E-02 0.962E-03
DAV: 21 -0.904420887702E+02 -0.39671E-04 -0.78025E-06 404 0.153E-02 0.656E-03
DAV: 22 -0.904420986287E+02 -0.98585E-05 -0.52012E-06 480 0.163E-02
1 F= -.90442099E+02 E0= -.90448000E+02 d E =0.177047E-01