./iterations/neb0_image01_iter175_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 0.365462285344E+03 0.36546E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.314870097807E+01 -0.36231E+03 -0.34938E+03 842 0.196E+02
DAV: 3 -0.955830780537E+02 -0.98732E+02 -0.98383E+02 669 0.116E+02
DAV: 4 -0.100209045887E+03 -0.46260E+01 -0.46150E+01 688 0.287E+01
DAV: 5 -0.100302081816E+03 -0.93036E-01 -0.92988E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916769273853E+02 0.86252E+01 -0.31025E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908793862274E+02 0.79754E+00 -0.18295E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905062055117E+02 0.37318E+00 -0.54674E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.904240396901E+02 0.82166E-01 -0.12972E-01 720 0.171E+00 0.425E-01
DAV: 10 -0.904195266829E+02 0.45130E-02 -0.47235E-02 720 0.124E+00 0.327E-01
DAV: 11 -0.904238106622E+02 -0.42840E-02 -0.90200E-03 608 0.662E-01 0.115E-01
DAV: 12 -0.904267549129E+02 -0.29443E-02 -0.60770E-03 621 0.411E-01 0.127E-01
DAV: 13 -0.904294341122E+02 -0.26792E-02 -0.14420E-03 853 0.290E-01 0.793E-02
DAV: 14 -0.904328828941E+02 -0.34488E-02 -0.17599E-03 631 0.221E-01 0.766E-02
DAV: 15 -0.904342075206E+02 -0.13246E-02 -0.29853E-04 824 0.133E-01 0.527E-02
DAV: 16 -0.904355752146E+02 -0.13677E-02 -0.10380E-03 661 0.202E-01 0.393E-02
DAV: 17 -0.904363522472E+02 -0.77703E-03 -0.16971E-04 725 0.886E-02 0.323E-02
DAV: 18 -0.904365232596E+02 -0.17101E-03 -0.31571E-05 712 0.298E-02 0.250E-02
DAV: 19 -0.904368503860E+02 -0.32713E-03 -0.85828E-05 638 0.544E-02 0.110E-02
DAV: 20 -0.904369185555E+02 -0.68169E-04 -0.26471E-05 560 0.337E-02 0.578E-03
DAV: 21 -0.904369540209E+02 -0.35465E-04 -0.91276E-06 437 0.183E-02 0.691E-03
DAV: 22 -0.904369936031E+02 -0.39582E-04 -0.59899E-06 436 0.123E-02 0.512E-03
DAV: 23 -0.904370026100E+02 -0.90069E-05 -0.38413E-06 464 0.131E-02
1 F= -.90437003E+02 E0= -.90443952E+02 d E =0.208487E-01