iterations/neb0_image01_iter279_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 0.362253149267E+03 0.36225E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.294569731092E+01 -0.35931E+03 -0.34707E+03 828 0.195E+02
DAV: 3 -0.956215588688E+02 -0.98567E+02 -0.98225E+02 669 0.115E+02
DAV: 4 -0.100187164178E+03 -0.45656E+01 -0.45530E+01 696 0.283E+01
DAV: 5 -0.100275468626E+03 -0.88304E-01 -0.88262E-01 728 0.355E+00 0.221E+01
DAV: 6 -0.916867626503E+02 0.85887E+01 -0.30988E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908912973547E+02 0.79547E+00 -0.18461E+00 720 0.640E+00 0.483E+00
DAV: 8 -0.905140732596E+02 0.37722E+00 -0.55080E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904279166914E+02 0.86157E-01 -0.13714E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.904226072698E+02 0.53094E-02 -0.44527E-02 717 0.124E+00 0.313E-01
DAV: 11 -0.904263147743E+02 -0.37075E-02 -0.63676E-03 608 0.472E-01 0.145E-01
DAV: 12 -0.904298082439E+02 -0.34935E-02 -0.69962E-03 620 0.499E-01 0.127E-01
DAV: 13 -0.904325136233E+02 -0.27054E-02 -0.13732E-03 800 0.298E-01 0.767E-02
DAV: 14 -0.904356175069E+02 -0.31039E-02 -0.15700E-03 642 0.189E-01 0.602E-02
DAV: 15 -0.904377280493E+02 -0.21105E-02 -0.42123E-04 728 0.133E-01 0.450E-02
DAV: 16 -0.904390289865E+02 -0.13009E-02 -0.76218E-04 669 0.158E-01 0.365E-02
DAV: 17 -0.904398635426E+02 -0.83456E-03 -0.18983E-04 845 0.960E-02 0.209E-02
DAV: 18 -0.904400004015E+02 -0.13686E-03 -0.40805E-05 720 0.324E-02 0.139E-02
DAV: 19 -0.904402528013E+02 -0.25240E-03 -0.64212E-05 617 0.423E-02 0.600E-03
DAV: 20 -0.904402824741E+02 -0.29673E-04 -0.45381E-06 488 0.134E-02 0.556E-03
DAV: 21 -0.904403257356E+02 -0.43261E-04 -0.67298E-06 420 0.154E-02 0.265E-03
DAV: 22 -0.904403400048E+02 -0.14269E-04 -0.30733E-06 480 0.804E-03 0.199E-03
DAV: 23 -0.904403427431E+02 -0.27383E-05 -0.66400E-07 520 0.456E-03
1 F= -.90440343E+02 E0= -.90445507E+02 d E =0.154916E-01