iterations/neb0_image07_iter6_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 0.363129771331E+03 0.36313E+03 -0.14199E+04 624 0.799E+02
DAV: 2 0.324788887514E+01 -0.35988E+03 -0.34779E+03 874 0.193E+02
DAV: 3 -0.939241148136E+02 -0.97172E+02 -0.96736E+02 696 0.114E+02
DAV: 4 -0.983517123069E+02 -0.44276E+01 -0.44093E+01 712 0.275E+01
DAV: 5 -0.984466272697E+02 -0.94915E-01 -0.94858E-01 736 0.355E+00 0.217E+01
DAV: 6 -0.900473715038E+02 0.83993E+01 -0.31558E+01 696 0.311E+01 0.114E+01
DAV: 7 -0.892989360580E+02 0.74844E+00 -0.16539E+00 725 0.685E+00 0.484E+00
DAV: 8 -0.889291148546E+02 0.36982E+00 -0.64421E-01 696 0.442E+00 0.170E+00
DAV: 9 -0.888422470241E+02 0.86868E-01 -0.15617E-01 789 0.197E+00 0.522E-01
DAV: 10 -0.888329598178E+02 0.92872E-02 -0.16022E-02 784 0.717E-01 0.300E-01
DAV: 11 -0.888324988992E+02 0.46092E-03 -0.15483E-02 629 0.694E-01 0.184E-01
DAV: 12 -0.888351427661E+02 -0.26439E-02 -0.37453E-03 682 0.398E-01 0.102E-01
DAV: 13 -0.888392620690E+02 -0.41193E-02 -0.30744E-03 595 0.285E-01 0.101E-01
DAV: 14 -0.888427224210E+02 -0.34604E-02 -0.12034E-03 644 0.200E-01 0.423E-02
DAV: 15 -0.888450931235E+02 -0.23707E-02 -0.69868E-04 741 0.150E-01 0.434E-02
DAV: 16 -0.888466091539E+02 -0.15160E-02 -0.28648E-04 725 0.114E-01 0.252E-02
DAV: 17 -0.888474722964E+02 -0.86314E-03 -0.25530E-04 733 0.912E-02 0.250E-02
DAV: 18 -0.888478345746E+02 -0.36228E-03 -0.55698E-05 653 0.537E-02 0.137E-02
DAV: 19 -0.888481195941E+02 -0.28502E-03 -0.66669E-05 661 0.427E-02 0.594E-03
DAV: 20 -0.888482221647E+02 -0.10257E-03 -0.68889E-06 469 0.165E-02 0.298E-03
DAV: 21 -0.888482756196E+02 -0.53455E-04 -0.97005E-06 423 0.137E-02 0.236E-03
DAV: 22 -0.888482866567E+02 -0.11037E-04 -0.20491E-06 480 0.699E-03 0.133E-03
DAV: 23 -0.888482910555E+02 -0.43989E-05 -0.13794E-06 422 0.596E-03
1 F= -.88848291E+02 E0= -.88852903E+02 d E =0.138354E-01