iterations/neb0_image07_iter206_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 0.370748465981E+03 0.37075E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.349481526050E+01 -0.36725E+03 -0.35505E+03 869 0.194E+02
DAV: 3 -0.965088255103E+02 -0.10000E+03 -0.99706E+02 688 0.116E+02
DAV: 4 -0.101065024968E+03 -0.45562E+01 -0.45436E+01 720 0.280E+01
DAV: 5 -0.101156371703E+03 -0.91347E-01 -0.91293E-01 728 0.355E+00 0.226E+01
DAV: 6 -0.925685014906E+02 0.85879E+01 -0.30690E+01 725 0.299E+01 0.118E+01
DAV: 7 -0.917243649620E+02 0.84414E+00 -0.17257E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913526819369E+02 0.37168E+00 -0.53528E-01 728 0.396E+00 0.162E+00
DAV: 9 -0.912714530321E+02 0.81229E-01 -0.12897E-01 728 0.156E+00 0.420E-01
DAV: 10 -0.912628289484E+02 0.86241E-02 -0.39782E-02 736 0.104E+00 0.286E-01
DAV: 11 -0.912672082715E+02 -0.43793E-02 -0.11423E-02 616 0.559E-01 0.143E-01
DAV: 12 -0.912699860495E+02 -0.27778E-02 -0.23257E-03 632 0.252E-01 0.898E-02
DAV: 13 -0.912739793251E+02 -0.39933E-02 -0.17332E-03 631 0.209E-01 0.544E-02
DAV: 14 -0.912763992490E+02 -0.24199E-02 -0.58635E-04 829 0.196E-01 0.374E-02
DAV: 15 -0.912785542085E+02 -0.21550E-02 -0.42983E-04 642 0.104E-01 0.332E-02
DAV: 16 -0.912795737390E+02 -0.10195E-02 -0.13720E-04 752 0.713E-02 0.152E-02
DAV: 17 -0.912804003991E+02 -0.82666E-03 -0.14988E-04 733 0.655E-02 0.162E-02
DAV: 18 -0.912806150432E+02 -0.21464E-03 -0.25834E-05 560 0.364E-02 0.853E-03
DAV: 19 -0.912807017090E+02 -0.86666E-04 -0.24310E-05 576 0.276E-02 0.597E-03
DAV: 20 -0.912807647700E+02 -0.63061E-04 -0.56806E-06 444 0.160E-02 0.254E-03
DAV: 21 -0.912807881911E+02 -0.23421E-04 -0.37236E-06 464 0.920E-03 0.122E-03
DAV: 22 -0.912808024645E+02 -0.14273E-04 -0.16255E-06 416 0.642E-03 0.987E-04
DAV: 23 -0.912808042425E+02 -0.17780E-05 -0.46070E-07 512 0.278E-03
1 F= -.91280804E+02 E0= -.91285998E+02 d E =0.155799E-01