./neb0_image01_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 0.802822364220E+03 0.80282E+03 -0.25790E+04 896 0.101E+03
DAV: 2 0.107129248267E+03 -0.69569E+03 -0.67972E+03 1144 0.281E+02
DAV: 3 -0.598778165773E+02 -0.16701E+03 -0.16611E+03 848 0.153E+02
DAV: 4 -0.650212745891E+02 -0.51435E+01 -0.51253E+01 896 0.291E+01
DAV: 5 -0.650820799771E+02 -0.60805E-01 -0.60693E-01 844 0.323E+00 0.206E+01
DAV: 6 -0.600006265728E+02 0.50815E+01 -0.17612E+01 808 0.214E+01 0.110E+01
DAV: 7 -0.597110320124E+02 0.28959E+00 -0.10818E+00 923 0.573E+00 0.417E+00
DAV: 8 -0.596998271528E+02 0.11205E-01 -0.15951E-01 864 0.238E+00 0.132E+00
DAV: 9 -0.597082587122E+02 -0.84316E-02 -0.23893E-02 918 0.135E+00 0.353E-01
DAV: 10 -0.597099114968E+02 -0.16528E-02 -0.47515E-03 864 0.384E-01 0.199E-01
DAV: 11 -0.597116434098E+02 -0.17319E-02 -0.17826E-03 785 0.292E-01 0.740E-02
DAV: 12 -0.597129861535E+02 -0.13427E-02 -0.35613E-04 844 0.135E-01 0.279E-02
DAV: 13 -0.597141694167E+02 -0.11833E-02 -0.12762E-04 854 0.703E-02 0.222E-02
DAV: 14 -0.597148373711E+02 -0.66795E-03 -0.48814E-05 785 0.387E-02 0.948E-03
DAV: 15 -0.597153983160E+02 -0.56094E-03 -0.54181E-05 775 0.361E-02 0.648E-03
DAV: 16 -0.597155492727E+02 -0.15096E-03 -0.12550E-05 598 0.201E-02 0.367E-03
DAV: 17 -0.597156559226E+02 -0.10665E-03 -0.78136E-06 573 0.125E-02 0.307E-03
DAV: 18 -0.597157188576E+02 -0.62935E-04 -0.28533E-06 570 0.698E-03 0.104E-03
DAV: 19 -0.597157622691E+02 -0.43412E-04 -0.29588E-06 563 0.649E-03 0.117E-03
DAV: 20 -0.597157734208E+02 -0.11152E-04 -0.71778E-07 480 0.391E-03 0.608E-04
DAV: 21 -0.597157800186E+02 -0.65978E-05 -0.52776E-07 477 0.257E-03
1 F= -.59715780E+02 E0= -.59719645E+02 d E =0.115964E-01