./iterations/neb0_image07_iter5_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 0.363996548733E+03 0.36400E+03 -0.14203E+04 624 0.799E+02
DAV: 2 0.445697309271E+01 -0.35954E+03 -0.34689E+03 866 0.193E+02
DAV: 3 -0.935845957854E+02 -0.98042E+02 -0.97592E+02 704 0.114E+02
DAV: 4 -0.980047732388E+02 -0.44202E+01 -0.44015E+01 728 0.273E+01
DAV: 5 -0.980970142664E+02 -0.92241E-01 -0.92195E-01 728 0.350E+00 0.219E+01
DAV: 6 -0.896233761083E+02 0.84736E+01 -0.31816E+01 688 0.312E+01 0.114E+01
DAV: 7 -0.888686555863E+02 0.75472E+00 -0.17044E+00 728 0.697E+00 0.486E+00
DAV: 8 -0.884942248614E+02 0.37443E+00 -0.64674E-01 696 0.446E+00 0.169E+00
DAV: 9 -0.884082502218E+02 0.85975E-01 -0.15978E-01 781 0.198E+00 0.531E-01
DAV: 10 -0.883987558972E+02 0.94943E-02 -0.16708E-02 800 0.753E-01 0.298E-01
DAV: 11 -0.883977972086E+02 0.95869E-03 -0.14195E-02 645 0.654E-01 0.186E-01
DAV: 12 -0.884007748017E+02 -0.29776E-02 -0.36566E-03 666 0.383E-01 0.993E-02
DAV: 13 -0.884048783153E+02 -0.41035E-02 -0.26814E-03 600 0.258E-01 0.970E-02
DAV: 14 -0.884083512001E+02 -0.34729E-02 -0.10199E-03 652 0.190E-01 0.344E-02
DAV: 15 -0.884106343927E+02 -0.22832E-02 -0.55315E-04 712 0.122E-01 0.389E-02
DAV: 16 -0.884123535094E+02 -0.17191E-02 -0.26867E-04 709 0.103E-01 0.203E-02
DAV: 17 -0.884132332948E+02 -0.87979E-03 -0.15286E-04 741 0.682E-02 0.216E-02
DAV: 18 -0.884135681979E+02 -0.33490E-03 -0.63786E-05 656 0.554E-02 0.121E-02
DAV: 19 -0.884137772138E+02 -0.20902E-03 -0.46291E-05 658 0.349E-02 0.527E-03
DAV: 20 -0.884138712314E+02 -0.94018E-04 -0.80647E-06 461 0.143E-02 0.274E-03
DAV: 21 -0.884139217508E+02 -0.50519E-04 -0.76345E-06 436 0.112E-02 0.169E-03
DAV: 22 -0.884139362111E+02 -0.14460E-04 -0.23455E-06 466 0.623E-03 0.829E-04
DAV: 23 -0.884139383221E+02 -0.21110E-05 -0.92871E-07 490 0.493E-03
1 F= -.88413938E+02 E0= -.88419306E+02 d E =0.161028E-01