./iterations/neb0_image09_iter278_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 0.374049209098E+03 0.37405E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.329846787119E+01 -0.37075E+03 -0.35811E+03 866 0.196E+02
DAV: 3 -0.968619049948E+02 -0.10016E+03 -0.99836E+02 672 0.117E+02
DAV: 4 -0.101297537568E+03 -0.44356E+01 -0.44251E+01 720 0.283E+01
DAV: 5 -0.101383593894E+03 -0.86056E-01 -0.86019E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926894534055E+02 0.86941E+01 -0.31013E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918127163607E+02 0.87674E+00 -0.17162E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914351412825E+02 0.37758E+00 -0.54887E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913545784855E+02 0.80563E-01 -0.13112E-01 720 0.154E+00 0.423E-01
DAV: 10 -0.913462740132E+02 0.83045E-02 -0.45520E-02 744 0.109E+00 0.305E-01
DAV: 11 -0.913509700641E+02 -0.46961E-02 -0.13547E-02 608 0.604E-01 0.145E-01
DAV: 12 -0.913539860252E+02 -0.30160E-02 -0.29213E-03 623 0.229E-01 0.117E-01
DAV: 13 -0.913577021270E+02 -0.37161E-02 -0.23285E-03 653 0.260E-01 0.484E-02
DAV: 14 -0.913609768242E+02 -0.32747E-02 -0.58803E-04 664 0.128E-01 0.266E-02
DAV: 15 -0.913624226976E+02 -0.14459E-02 -0.11251E-04 672 0.558E-02 0.231E-02
DAV: 16 -0.913636656352E+02 -0.12429E-02 -0.25223E-04 645 0.767E-02 0.183E-02
DAV: 17 -0.913638139872E+02 -0.14835E-03 -0.21246E-05 528 0.369E-02 0.131E-02
DAV: 18 -0.913640575583E+02 -0.24357E-03 -0.77301E-05 618 0.467E-02 0.114E-02
DAV: 19 -0.913641108371E+02 -0.53279E-04 -0.10436E-05 512 0.272E-02 0.548E-03
DAV: 20 -0.913641457374E+02 -0.34900E-04 -0.17515E-05 424 0.238E-02 0.347E-03
DAV: 21 -0.913641636789E+02 -0.17942E-04 -0.41745E-06 464 0.979E-03 0.404E-03
DAV: 22 -0.913641679824E+02 -0.43035E-05 -0.94444E-07 464 0.719E-03
1 F= -.91364168E+02 E0= -.91368874E+02 d E =0.141194E-01