./iterations/neb0_image05_iter2_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 0.792579690050E+03 0.79258E+03 -0.25990E+04 920 0.101E+03
DAV: 2 0.108389997963E+03 -0.68419E+03 -0.66772E+03 1096 0.281E+02
DAV: 3 -0.565839741425E+02 -0.16497E+03 -0.16385E+03 875 0.154E+02
DAV: 4 -0.620081040577E+02 -0.54241E+01 -0.54025E+01 832 0.297E+01
DAV: 5 -0.621030345430E+02 -0.94930E-01 -0.94674E-01 824 0.351E+00 0.232E+01
DAV: 6 -0.623909998354E+02 -0.28797E+00 -0.14237E+02 765 0.368E+01 0.208E+01
DAV: 7 -0.558957151906E+02 0.64953E+01 -0.11360E+01 920 0.135E+01 0.114E+01
DAV: 8 -0.587371118407E+02 -0.28414E+01 -0.53955E+01 795 0.165E+01 0.138E+01
DAV: 9 -0.555748309505E+02 0.31623E+01 -0.32035E+00 893 0.118E+01 0.647E+00
DAV: 10 -0.561347767350E+02 -0.55995E+00 -0.13393E+01 859 0.813E+00 0.881E+00
DAV: 11 -0.554676466698E+02 0.66713E+00 -0.38554E+00 839 0.429E+00 0.330E+00
DAV: 12 -0.555406164646E+02 -0.72970E-01 -0.12427E+00 780 0.141E+00 0.431E+00
DAV: 13 -0.554964641782E+02 0.44152E-01 -0.10259E+00 795 0.116E+00 0.307E+00
DAV: 14 -0.555015013255E+02 -0.50371E-02 -0.33789E-01 824 0.795E-01 0.107E+00
DAV: 15 -0.555138314953E+02 -0.12330E-01 -0.38334E-03 795 0.349E-01 0.120E+00
DAV: 16 -0.555135088812E+02 0.32261E-03 -0.10394E-01 839 0.448E-01 0.113E+00
DAV: 17 -0.555166447090E+02 -0.31358E-02 -0.36199E-03 785 0.236E-01 0.776E-01
DAV: 18 -0.555171746881E+02 -0.52998E-03 -0.16084E-02 854 0.163E-01 0.149E-01
DAV: 19 -0.555214498899E+02 -0.42752E-02 -0.41280E-03 849 0.134E-01 0.330E-01
DAV: 20 -0.555212854617E+02 0.16443E-03 -0.47912E-03 854 0.723E-02 0.167E-01
DAV: 21 -0.555219273063E+02 -0.64184E-03 -0.54453E-04 707 0.465E-02 0.904E-03
DAV: 22 -0.555221857561E+02 -0.25845E-03 -0.16542E-04 578 0.190E-02 0.868E-02
DAV: 23 -0.555221941495E+02 -0.83934E-05 -0.48786E-05 587 0.118E-02
1 F= -.55522194E+02 E0= -.55519956E+02 d E =-.671342E-02