./iterations/neb0_image03_iter70_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 0.793966813123E+03 0.79397E+03 -0.25913E+04 912 0.101E+03
DAV: 2 0.101339215721E+03 -0.69263E+03 -0.67334E+03 1120 0.280E+02
DAV: 3 -0.595087755432E+02 -0.16085E+03 -0.16040E+03 832 0.154E+02
DAV: 4 -0.639535108787E+02 -0.44447E+01 -0.44065E+01 816 0.287E+01
DAV: 5 -0.640510930111E+02 -0.97582E-01 -0.97426E-01 844 0.373E+00 0.203E+01
DAV: 6 -0.619541540871E+02 0.20969E+01 -0.50844E+01 864 0.258E+01 0.177E+01
DAV: 7 -0.605654729091E+02 0.13887E+01 -0.60495E+01 987 0.226E+01 0.113E+01
DAV: 8 -0.598247584092E+02 0.74071E+00 -0.11597E+00 859 0.613E+00 0.702E+00
DAV: 9 -0.592191626813E+02 0.60560E+00 -0.95501E-01 816 0.779E+00 0.458E+00
DAV: 10 -0.591330003753E+02 0.86162E-01 -0.24791E+00 856 0.394E+00 0.639E+00
DAV: 11 -0.592584666895E+02 -0.12547E+00 -0.59046E+00 992 0.428E+00 0.392E+00
DAV: 12 -0.591366572671E+02 0.12181E+00 -0.15704E-01 851 0.163E+00 0.325E+00
DAV: 13 -0.591213293121E+02 0.15328E-01 -0.11655E+00 923 0.217E+00 0.489E+00
DAV: 14 -0.590889011831E+02 0.32428E-01 -0.11326E+00 977 0.148E+00 0.231E+00
DAV: 15 -0.591011032742E+02 -0.12202E-01 -0.59685E-02 804 0.524E-01 0.647E-01
DAV: 16 -0.591055006867E+02 -0.43974E-02 -0.24704E-03 859 0.179E-01 0.332E-01
DAV: 17 -0.591091852452E+02 -0.36846E-02 -0.61680E-03 972 0.169E-01 0.257E-01
DAV: 18 -0.591106248639E+02 -0.14396E-02 -0.30394E-04 888 0.912E-02 0.342E-01
DAV: 19 -0.591102234195E+02 0.40144E-03 -0.17443E-03 834 0.818E-02 0.449E-02
DAV: 20 -0.591110156343E+02 -0.79221E-03 -0.76574E-05 817 0.454E-02 0.190E-02
DAV: 21 -0.591111563650E+02 -0.14073E-03 -0.12989E-05 580 0.170E-02 0.115E-02
DAV: 22 -0.591112208879E+02 -0.64523E-04 -0.70948E-06 588 0.134E-02 0.185E-02
DAV: 23 -0.591112547313E+02 -0.33843E-04 -0.40806E-05 575 0.115E-02 0.275E-02
DAV: 24 -0.591112632187E+02 -0.84874E-05 -0.13200E-05 475 0.753E-03
1 F= -.59111263E+02 E0= -.59113529E+02 d E =0.679648E-02