./iterations/neb0_image06_iter18_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.800771265411E+03 0.80077E+03 -0.25777E+04 904 0.101E+03
DAV: 2 0.108295222733E+03 -0.69248E+03 -0.67456E+03 1112 0.280E+02
DAV: 3 -0.602205707100E+02 -0.16852E+03 -0.16781E+03 872 0.156E+02
DAV: 4 -0.651345103092E+02 -0.49139E+01 -0.48891E+01 824 0.296E+01
DAV: 5 -0.652294380439E+02 -0.94928E-01 -0.94789E-01 865 0.362E+00 0.194E+01
DAV: 6 -0.611024650442E+02 0.41270E+01 -0.53868E+01 809 0.320E+01 0.188E+01
DAV: 7 -0.602280234045E+02 0.87444E+00 -0.57385E+01 928 0.167E+01 0.942E+00
DAV: 8 -0.592365284351E+02 0.99149E+00 -0.13477E+00 937 0.897E+00 0.539E+00
DAV: 9 -0.592286640426E+02 0.78644E-02 -0.70810E+00 880 0.881E+00 0.111E+01
DAV: 10 -0.588976443000E+02 0.33102E+00 -0.12162E+01 920 0.524E+00 0.331E+00
DAV: 11 -0.589675042250E+02 -0.69860E-01 -0.95847E-02 780 0.174E+00 0.331E+00
DAV: 12 -0.588630047888E+02 0.10450E+00 -0.92646E-02 992 0.133E+00 0.245E+00
DAV: 13 -0.588302626514E+02 0.32742E-01 -0.28778E-01 848 0.135E+00 0.642E-01
DAV: 14 -0.588431169275E+02 -0.12854E-01 -0.49536E-03 912 0.429E-01 0.521E-01
DAV: 15 -0.588463779635E+02 -0.32610E-02 -0.45064E-03 870 0.396E-01 0.385E-01
DAV: 16 -0.588484572409E+02 -0.20793E-02 -0.29285E-02 1048 0.378E-01 0.300E-01
DAV: 17 -0.588487816178E+02 -0.32438E-03 -0.46115E-04 827 0.127E-01 0.287E-01
DAV: 18 -0.588484176038E+02 0.36401E-03 -0.67586E-05 704 0.468E-02 0.301E-01
DAV: 19 -0.588493935897E+02 -0.97599E-03 -0.48200E-03 864 0.175E-01 0.245E-01
DAV: 20 -0.588524497129E+02 -0.30561E-02 -0.71361E-03 870 0.312E-01 0.502E-01
DAV: 21 -0.588539914109E+02 -0.15417E-02 -0.34108E-03 880 0.377E-01 0.795E-01
DAV: 22 -0.588548883439E+02 -0.89693E-03 -0.37499E-03 864 0.239E-01 0.939E-01
DAV: 23 -0.588604556293E+02 -0.55673E-02 -0.47976E-03 846 0.428E-01 0.136E+00
DAV: 24 -0.588649428092E+02 -0.44872E-02 -0.54247E-03 864 0.426E-01 0.169E+00
DAV: 25 -0.588629257009E+02 0.20171E-02 -0.13199E-03 859 0.243E-01 0.151E+00
DAV: 26 -0.588621892922E+02 0.73641E-03 -0.30272E-04 896 0.101E-01 0.145E+00
DAV: 27 -0.588569093723E+02 0.52799E-02 -0.11129E-02 828 0.678E-01 0.924E-01
DAV: 28 -0.588547009642E+02 0.22084E-02 -0.57925E-03 896 0.427E-01 0.621E-01
DAV: 29 -0.588540249651E+02 0.67600E-03 -0.14639E-04 857 0.701E-02 0.586E-01
DAV: 30 -0.588539024287E+02 0.12254E-03 -0.19034E-05 504 0.151E-02 0.585E-01
DAV: 31 -0.588540425942E+02 -0.14017E-03 -0.51008E-03 891 0.222E-01 0.686E-01
DAV: 32 -0.588550862735E+02 -0.10437E-02 -0.53667E-04 817 0.161E-01 0.742E-01
DAV: 33 -0.588531902831E+02 0.18960E-02 -0.11166E-02 838 0.614E-01 0.233E-01
DAV: 34 -0.588534360683E+02 -0.24579E-03 -0.13186E-03 854 0.152E-01 0.253E-01
DAV: 35 -0.588535130198E+02 -0.76952E-04 -0.13638E-03 876 0.224E-01 0.103E-01
DAV: 36 -0.588535845676E+02 -0.71548E-04 -0.23573E-04 833 0.991E-02 0.796E-02
DAV: 37 -0.588536069215E+02 -0.22354E-04 -0.24516E-04 859 0.108E-01 0.844E-02
DAV: 38 -0.588536341654E+02 -0.27244E-04 -0.35967E-05 755 0.375E-02 0.718E-02
DAV: 39 -0.588536454653E+02 -0.11300E-04 -0.16255E-05 598 0.208E-02 0.649E-02
DAV: 40 -0.588536475972E+02 -0.21320E-05 -0.17302E-05 593 0.262E-02
1 F= -.58853648E+02 E0= -.58870386E+02 d E =0.502159E-01