./iterations/neb0_image01_iter3_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 0.800488404629E+03 0.80049E+03 -0.25770E+04 896 0.101E+03
DAV: 2 0.107531507518E+03 -0.69296E+03 -0.67656E+03 1123 0.280E+02
DAV: 3 -0.594102001220E+02 -0.16694E+03 -0.16632E+03 816 0.154E+02
DAV: 4 -0.647409104319E+02 -0.53307E+01 -0.53159E+01 912 0.299E+01
DAV: 5 -0.648016502944E+02 -0.60740E-01 -0.60629E-01 844 0.328E+00 0.204E+01
DAV: 6 -0.597604596443E+02 0.50412E+01 -0.17695E+01 832 0.209E+01 0.109E+01
DAV: 7 -0.594963821647E+02 0.26408E+00 -0.90719E-01 886 0.521E+00 0.412E+00
DAV: 8 -0.594857924349E+02 0.10590E-01 -0.12975E-01 864 0.220E+00 0.133E+00
DAV: 9 -0.594953168861E+02 -0.95245E-02 -0.19095E-02 921 0.121E+00 0.335E-01
DAV: 10 -0.594966997164E+02 -0.13828E-02 -0.33240E-03 854 0.368E-01 0.190E-01
DAV: 11 -0.594983528067E+02 -0.16531E-02 -0.11919E-03 818 0.259E-01 0.621E-02
DAV: 12 -0.594996012699E+02 -0.12485E-02 -0.23245E-04 849 0.120E-01 0.251E-02
DAV: 13 -0.595007877113E+02 -0.11864E-02 -0.12818E-04 849 0.765E-02 0.237E-02
DAV: 14 -0.595015729375E+02 -0.78523E-03 -0.81246E-05 785 0.537E-02 0.103E-02
DAV: 15 -0.595019866282E+02 -0.41369E-03 -0.46200E-05 748 0.372E-02 0.803E-03
DAV: 16 -0.595021204387E+02 -0.13381E-03 -0.10125E-05 598 0.172E-02 0.455E-03
DAV: 17 -0.595022530657E+02 -0.13263E-03 -0.88253E-06 573 0.120E-02 0.210E-03
DAV: 18 -0.595023122928E+02 -0.59227E-04 -0.34918E-06 606 0.755E-03 0.116E-03
DAV: 19 -0.595023493804E+02 -0.37088E-04 -0.23153E-06 578 0.593E-03 0.969E-04
DAV: 20 -0.595023587745E+02 -0.93941E-05 -0.59232E-07 475 0.316E-03
1 F= -.59502359E+02 E0= -.59506224E+02 d E =0.115965E-01