./iterations/neb0_image02_iter8_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 0.784165945827E+03 0.78417E+03 -0.25797E+04 904 0.101E+03
DAV: 2 0.102995371695E+03 -0.68117E+03 -0.66447E+03 1152 0.279E+02
DAV: 3 -0.592619866993E+02 -0.16226E+03 -0.16165E+03 832 0.151E+02
DAV: 4 -0.643024928755E+02 -0.50405E+01 -0.50115E+01 907 0.290E+01
DAV: 5 -0.643610863962E+02 -0.58594E-01 -0.58492E-01 849 0.320E+00 0.193E+01
DAV: 6 -0.592375607751E+02 0.51235E+01 -0.17903E+01 835 0.230E+01 0.101E+01
DAV: 7 -0.589867449063E+02 0.25082E+00 -0.12019E+00 843 0.615E+00 0.414E+00
DAV: 8 -0.589647953190E+02 0.21950E-01 -0.15388E-01 864 0.249E+00 0.126E+00
DAV: 9 -0.589725749018E+02 -0.77796E-02 -0.21772E-02 854 0.141E+00 0.360E-01
DAV: 10 -0.589746913894E+02 -0.21165E-02 -0.60221E-03 859 0.500E-01 0.193E-01
DAV: 11 -0.589761909904E+02 -0.14996E-02 -0.13602E-03 822 0.273E-01 0.699E-02
DAV: 12 -0.589774289304E+02 -0.12379E-02 -0.45008E-04 913 0.180E-01 0.489E-02
DAV: 13 -0.589778226447E+02 -0.39371E-03 -0.31615E-04 859 0.132E-01 0.863E-02
DAV: 14 -0.589781466263E+02 -0.32398E-03 -0.34011E-04 992 0.140E-01 0.513E-02
DAV: 15 -0.589791656767E+02 -0.10191E-02 -0.54608E-04 839 0.152E-01 0.509E-02
DAV: 16 -0.589798195736E+02 -0.65390E-03 -0.19815E-04 913 0.113E-01 0.626E-02
DAV: 17 -0.589806386331E+02 -0.81906E-03 -0.59191E-04 992 0.233E-01 0.103E-01
DAV: 18 -0.589802712416E+02 0.36739E-03 -0.54162E-04 967 0.221E-01 0.704E-02
DAV: 19 -0.589801282278E+02 0.14301E-03 -0.84908E-04 992 0.228E-01 0.609E-02
DAV: 20 -0.589795634691E+02 0.56476E-03 -0.83888E-04 898 0.253E-01 0.190E-01
DAV: 21 -0.589800100516E+02 -0.44658E-03 -0.61054E-04 849 0.199E-01 0.599E-02
DAV: 22 -0.589804108047E+02 -0.40075E-03 -0.17339E-04 881 0.670E-02 0.586E-02
DAV: 23 -0.589807059193E+02 -0.29511E-03 -0.63757E-05 807 0.749E-02 0.500E-02
DAV: 24 -0.589810148840E+02 -0.30896E-03 -0.30991E-04 955 0.157E-01 0.600E-02
DAV: 25 -0.589812093365E+02 -0.19445E-03 -0.14371E-04 839 0.870E-02 0.738E-02
DAV: 26 -0.589812846309E+02 -0.75294E-04 -0.14737E-05 704 0.329E-02 0.781E-02
DAV: 27 -0.589813308910E+02 -0.46260E-04 -0.68278E-06 465 0.220E-02 0.817E-02
DAV: 28 -0.589813906754E+02 -0.59784E-04 -0.85023E-06 608 0.274E-02 0.860E-02
DAV: 29 -0.589814748253E+02 -0.84150E-04 -0.16670E-05 683 0.373E-02 0.928E-02
DAV: 30 -0.589815414442E+02 -0.66619E-04 -0.10347E-05 488 0.295E-02 0.980E-02
DAV: 31 -0.589814091256E+02 0.13232E-03 -0.25205E-05 721 0.534E-02 0.894E-02
DAV: 32 -0.589812316925E+02 0.17743E-03 -0.10525E-04 923 0.894E-02 0.730E-02
DAV: 33 -0.589808194340E+02 0.41226E-03 -0.65222E-04 977 0.255E-01 0.596E-02
DAV: 34 -0.589806038586E+02 0.21558E-03 -0.45433E-04 864 0.148E-01 0.771E-02
DAV: 35 -0.589803311882E+02 0.27267E-03 -0.95552E-05 840 0.886E-02 0.122E-01
DAV: 36 -0.589801548365E+02 0.17635E-03 -0.34623E-05 712 0.402E-02 0.141E-01
DAV: 37 -0.589800986169E+02 0.56220E-04 -0.22887E-06 470 0.843E-03 0.139E-01
DAV: 38 -0.589801645265E+02 -0.65910E-04 -0.38888E-06 480 0.200E-02 0.123E-01
DAV: 39 -0.589803966175E+02 -0.23209E-03 -0.68131E-05 790 0.720E-02 0.826E-02
DAV: 40 -0.589806417343E+02 -0.24512E-03 -0.11284E-04 923 0.884E-02 0.588E-02
DAV: 41 -0.589808078114E+02 -0.16608E-03 -0.74227E-05 923 0.731E-02 0.515E-02
DAV: 42 -0.589807981367E+02 0.96747E-05 -0.20789E-05 666 0.333E-02
1 F= -.58980798E+02 E0= -.58986165E+02 d E =0.161017E-01