./iterations/neb0_image08_iter52_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 0.793211917011E+03 0.79321E+03 -0.26016E+04 920 0.101E+03
DAV: 2 0.101018576849E+03 -0.69219E+03 -0.67482E+03 1112 0.281E+02
DAV: 3 -0.631087396200E+02 -0.16413E+03 -0.16382E+03 815 0.154E+02
DAV: 4 -0.678662070205E+02 -0.47575E+01 -0.47474E+01 912 0.289E+01
DAV: 5 -0.679199064557E+02 -0.53699E-01 -0.53511E-01 915 0.313E+00 0.196E+01
DAV: 6 -0.632767365294E+02 0.46432E+01 -0.18824E+01 902 0.223E+01 0.107E+01
DAV: 7 -0.631232424859E+02 0.15349E+00 -0.96791E-01 936 0.575E+00 0.397E+00
DAV: 8 -0.631170276730E+02 0.62148E-02 -0.94459E-02 920 0.209E+00 0.138E+00
DAV: 9 -0.631258022392E+02 -0.87746E-02 -0.20009E-02 928 0.103E+00 0.330E-01
DAV: 10 -0.631269798116E+02 -0.11776E-02 -0.56027E-03 918 0.614E-01 0.174E-01
DAV: 11 -0.631277461955E+02 -0.76638E-03 -0.75526E-04 872 0.204E-01 0.763E-02
DAV: 12 -0.631287981014E+02 -0.10519E-02 -0.34414E-04 862 0.160E-01 0.314E-02
DAV: 13 -0.631297529419E+02 -0.95484E-03 -0.19967E-04 843 0.141E-01 0.369E-02
DAV: 14 -0.631306255398E+02 -0.87260E-03 -0.23051E-04 820 0.121E-01 0.169E-02
DAV: 15 -0.631310222951E+02 -0.39676E-03 -0.48378E-05 843 0.467E-02 0.794E-03
DAV: 16 -0.631312773122E+02 -0.25502E-03 -0.17206E-05 623 0.243E-02 0.483E-03
DAV: 17 -0.631314428890E+02 -0.16558E-03 -0.10001E-05 662 0.153E-02 0.299E-03
DAV: 18 -0.631315520429E+02 -0.10915E-03 -0.82205E-06 607 0.109E-02 0.217E-03
DAV: 19 -0.631315794549E+02 -0.27412E-04 -0.21596E-06 632 0.902E-03 0.115E-03
DAV: 20 -0.631315982096E+02 -0.18755E-04 -0.12601E-06 601 0.488E-03 0.118E-03
DAV: 21 -0.631316023567E+02 -0.41470E-05 -0.32329E-07 480 0.352E-03
1 F= -.63131602E+02 E0= -.63135468E+02 d E =0.115964E-01