./iterations/neb0_image01_iter76_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 0.801508007083E+03 0.80151E+03 -0.25810E+04 904 0.101E+03
DAV: 2 0.106735388226E+03 -0.69477E+03 -0.67832E+03 1152 0.280E+02
DAV: 3 -0.599107350409E+02 -0.16665E+03 -0.16619E+03 840 0.153E+02
DAV: 4 -0.650167710996E+02 -0.51060E+01 -0.50867E+01 896 0.292E+01
DAV: 5 -0.650786230195E+02 -0.61852E-01 -0.61723E-01 839 0.327E+00 0.206E+01
DAV: 6 -0.599958308571E+02 0.50828E+01 -0.17615E+01 808 0.214E+01 0.110E+01
DAV: 7 -0.596997282873E+02 0.29610E+00 -0.10842E+00 888 0.581E+00 0.418E+00
DAV: 8 -0.596885006389E+02 0.11228E-01 -0.16468E-01 864 0.241E+00 0.133E+00
DAV: 9 -0.596964470440E+02 -0.79464E-02 -0.25072E-02 918 0.141E+00 0.356E-01
DAV: 10 -0.596979924954E+02 -0.15455E-02 -0.49760E-03 864 0.402E-01 0.201E-01
DAV: 11 -0.596996358329E+02 -0.16433E-02 -0.18615E-03 785 0.305E-01 0.755E-02
DAV: 12 -0.597009955701E+02 -0.13597E-02 -0.37502E-04 839 0.142E-01 0.278E-02
DAV: 13 -0.597021115624E+02 -0.11160E-02 -0.12383E-04 854 0.745E-02 0.216E-02
DAV: 14 -0.597028096297E+02 -0.69807E-03 -0.50577E-05 785 0.414E-02 0.983E-03
DAV: 15 -0.597033672380E+02 -0.55761E-03 -0.52324E-05 775 0.378E-02 0.682E-03
DAV: 16 -0.597035246270E+02 -0.15739E-03 -0.14882E-05 641 0.220E-02 0.385E-03
DAV: 17 -0.597036470809E+02 -0.12245E-03 -0.82957E-06 568 0.130E-02 0.334E-03
DAV: 18 -0.597037149748E+02 -0.67894E-04 -0.31980E-06 588 0.730E-03 0.115E-03
DAV: 19 -0.597037593163E+02 -0.44341E-04 -0.29814E-06 555 0.654E-03 0.110E-03
DAV: 20 -0.597037666911E+02 -0.73748E-05 -0.54624E-07 480 0.301E-03
1 F= -.59703767E+02 E0= -.59707632E+02 d E =0.115964E-01