iterations/neb0_image05_iter41_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 0.372896303939E+03 0.37290E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.442153112057E+01 -0.36847E+03 -0.35692E+03 877 0.195E+02
DAV: 3 -0.934010016547E+02 -0.97823E+02 -0.97445E+02 624 0.116E+02
DAV: 4 -0.983401887982E+02 -0.49392E+01 -0.49242E+01 712 0.307E+01
DAV: 5 -0.984453536206E+02 -0.10516E+00 -0.10513E+00 696 0.401E+00 0.221E+01
DAV: 6 -0.901049561696E+02 0.83404E+01 -0.29529E+01 685 0.298E+01 0.115E+01
DAV: 7 -0.892653434753E+02 0.83961E+00 -0.16531E+00 712 0.649E+00 0.471E+00
DAV: 8 -0.888871800303E+02 0.37816E+00 -0.57680E-01 712 0.416E+00 0.165E+00
DAV: 9 -0.887972889714E+02 0.89891E-01 -0.13572E-01 720 0.172E+00 0.453E-01
DAV: 10 -0.887876004747E+02 0.96885E-02 -0.24655E-02 792 0.862E-01 0.291E-01
DAV: 11 -0.887900029244E+02 -0.24024E-02 -0.13351E-02 602 0.740E-01 0.165E-01
DAV: 12 -0.887915722911E+02 -0.15694E-02 -0.29594E-03 784 0.388E-01 0.109E-01
DAV: 13 -0.887960842708E+02 -0.45120E-02 -0.46060E-03 623 0.418E-01 0.108E-01
DAV: 14 -0.887982285082E+02 -0.21442E-02 -0.66496E-04 752 0.214E-01 0.632E-02
DAV: 15 -0.888012364978E+02 -0.30080E-02 -0.18683E-03 631 0.258E-01 0.561E-02
DAV: 16 -0.888030966225E+02 -0.18601E-02 -0.51074E-04 869 0.176E-01 0.237E-02
DAV: 17 -0.888039190542E+02 -0.82243E-03 -0.17187E-04 696 0.709E-02 0.172E-02
DAV: 18 -0.888048086733E+02 -0.88962E-03 -0.13214E-04 638 0.553E-02 0.105E-02
DAV: 19 -0.888049911050E+02 -0.18243E-03 -0.21717E-05 557 0.326E-02 0.669E-03
DAV: 20 -0.888051416119E+02 -0.15051E-03 -0.24492E-05 473 0.281E-02 0.416E-03
DAV: 21 -0.888051751725E+02 -0.33561E-04 -0.68044E-06 512 0.165E-02 0.403E-03
DAV: 22 -0.888052026706E+02 -0.27498E-04 -0.39620E-06 406 0.115E-02 0.207E-03
DAV: 23 -0.888052130321E+02 -0.10361E-04 -0.36434E-06 480 0.109E-02 0.204E-03
DAV: 24 -0.888052143846E+02 -0.13525E-05 -0.79774E-07 512 0.613E-03
1 F= -.88805214E+02 E0= -.88809340E+02 d E =0.123763E-01