./iterations/neb0_image04_iter61_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 0.796018394852E+03 0.79602E+03 -0.25876E+04 904 0.101E+03
DAV: 2 0.103413757412E+03 -0.69260E+03 -0.67335E+03 1096 0.280E+02
DAV: 3 -0.607966012342E+02 -0.16421E+03 -0.16359E+03 831 0.155E+02
DAV: 4 -0.654796504503E+02 -0.46830E+01 -0.46703E+01 864 0.290E+01
DAV: 5 -0.655505899513E+02 -0.70940E-01 -0.70842E-01 918 0.336E+00 0.207E+01
DAV: 6 -0.655922223354E+02 -0.41632E-01 -0.13043E+02 859 0.391E+01 0.212E+01
DAV: 7 -0.590396708525E+02 0.65526E+01 -0.16050E+01 936 0.145E+01 0.862E+00
DAV: 8 -0.591349006626E+02 -0.95230E-01 -0.82625E+00 928 0.134E+01 0.785E+00
DAV: 9 -0.600562906425E+02 -0.92139E+00 -0.22794E+01 1048 0.893E+00 0.109E+01
DAV: 10 -0.592154700064E+02 0.84082E+00 -0.90541E+00 888 0.509E+00 0.836E+00
DAV: 11 -0.592295823121E+02 -0.14112E-01 -0.87391E+00 928 0.636E+00 0.838E+00
DAV: 12 -0.588495163492E+02 0.38007E+00 -0.85697E-01 928 0.295E+00 0.386E+00
DAV: 13 -0.588527055699E+02 -0.31892E-02 -0.14581E-01 849 0.110E+00 0.247E+00
DAV: 14 -0.589113515892E+02 -0.58646E-01 -0.59060E-01 992 0.108E+00 0.508E+00
DAV: 15 -0.588693739059E+02 0.41978E-01 -0.14236E+00 881 0.171E+00 0.412E+00
DAV: 16 -0.588757557846E+02 -0.63819E-02 -0.11763E-01 755 0.924E-01 0.217E+00
DAV: 17 -0.588639080153E+02 0.11848E-01 -0.33676E-02 822 0.307E-01 0.173E+00
DAV: 18 -0.588835598856E+02 -0.19652E-01 -0.13216E-01 809 0.530E-01 0.253E+00
DAV: 19 -0.588889384780E+02 -0.53786E-02 -0.34508E-03 856 0.397E-01 0.255E+00
DAV: 20 -0.588774210850E+02 0.11517E-01 -0.15037E-01 875 0.408E-01 0.863E-01
DAV: 21 -0.588897725446E+02 -0.12351E-01 -0.36791E-02 859 0.279E-01 0.791E-01
DAV: 22 -0.588891248409E+02 0.64770E-03 -0.21419E-02 899 0.149E-01 0.432E-01
DAV: 23 -0.588902930609E+02 -0.11682E-02 -0.48637E-03 888 0.147E-01 0.204E-01
DAV: 24 -0.588913443637E+02 -0.10513E-02 -0.24334E-04 912 0.649E-02 0.288E-01
DAV: 25 -0.588914722515E+02 -0.12789E-03 -0.73151E-04 798 0.538E-02 0.665E-02
DAV: 26 -0.588920915611E+02 -0.61931E-03 -0.95422E-04 731 0.408E-02 0.269E-01
DAV: 27 -0.588919250242E+02 0.16654E-03 -0.78546E-04 680 0.349E-02 0.382E-02
DAV: 28 -0.588921805444E+02 -0.25552E-03 -0.34460E-05 598 0.205E-02 0.276E-02
DAV: 29 -0.588922304261E+02 -0.49882E-04 -0.87305E-06 574 0.102E-02 0.223E-02
DAV: 30 -0.588922554780E+02 -0.25052E-04 -0.33874E-06 567 0.673E-03 0.247E-02
DAV: 31 -0.588922618695E+02 -0.63915E-05 -0.10808E-05 480 0.484E-03
1 F= -.58892262E+02 E0= -.58890501E+02 d E =-.528184E-02