iterations/neb0_image04_iter65_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209011425946E+04 0.20901E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.139968589309E+03 -0.22301E+04 -0.21415E+04 2136 0.262E+02
DAV: 3 -0.465061252283E+03 -0.32509E+03 -0.32100E+03 1864 0.107E+02
DAV: 4 -0.477770059367E+03 -0.12709E+02 -0.12660E+02 1968 0.226E+01
DAV: 5 -0.478225738135E+03 -0.45568E+00 -0.45542E+00 2112 0.374E+00 0.430E+01
DAV: 6 -0.448509843485E+03 0.29716E+02 -0.14713E+02 2024 0.321E+01 0.377E+01
DAV: 7 -0.453593818646E+03 -0.50840E+01 -0.22890E+02 1896 0.149E+01 0.206E+01
DAV: 8 -0.447449953021E+03 0.61439E+01 -0.90058E+00 1760 0.876E+00 0.128E+01
DAV: 9 -0.446872848932E+03 0.57710E+00 -0.35751E+01 1984 0.128E+01 0.105E+01
DAV: 10 -0.446044040118E+03 0.82881E+00 -0.39596E+00 1840 0.384E+00 0.101E+01
DAV: 11 -0.444829332508E+03 0.12147E+01 -0.13690E+00 2040 0.282E+00 0.624E+00
DAV: 12 -0.445011495344E+03 -0.18216E+00 -0.83204E+00 2192 0.359E+00 0.792E+00
DAV: 13 -0.444521072500E+03 0.49042E+00 -0.79114E-01 2016 0.275E+00 0.505E+00
DAV: 14 -0.444379499500E+03 0.14157E+00 -0.15733E+00 1872 0.133E+00 0.189E+00
DAV: 15 -0.444605292519E+03 -0.22579E+00 -0.14364E+00 1976 0.950E-01 0.981E+00
DAV: 16 -0.444317726792E+03 0.28757E+00 -0.58617E-01 1752 0.512E-01 0.527E+00
DAV: 17 -0.444305168793E+03 0.12558E-01 -0.37526E-01 2200 0.572E-01 0.185E+00
DAV: 18 -0.444386677485E+03 -0.81509E-01 -0.16638E-01 1984 0.698E-01 0.170E+00
DAV: 19 -0.444386828853E+03 -0.15137E-03 -0.42910E-02 1864 0.404E-01 0.889E-01
DAV: 20 -0.444386747904E+03 0.80948E-04 -0.12418E-02 1992 0.189E-01 0.732E-01
DAV: 21 -0.444389090058E+03 -0.23422E-02 -0.53481E-03 2008 0.138E-01 0.488E-01
DAV: 22 -0.444392279725E+03 -0.31897E-02 -0.50458E-03 2008 0.134E-01 0.113E-01
DAV: 23 -0.444395637529E+03 -0.33578E-02 -0.29472E-03 2008 0.102E-01 0.188E-01
DAV: 24 -0.444396160197E+03 -0.52267E-03 -0.93671E-04 1936 0.637E-02 0.128E-01
DAV: 25 -0.444396874468E+03 -0.71427E-03 -0.23950E-04 1776 0.283E-02 0.119E-01
DAV: 26 -0.444397210509E+03 -0.33604E-03 -0.31128E-04 1824 0.320E-02 0.124E-01
DAV: 27 -0.444397326008E+03 -0.11550E-03 -0.75454E-05 1720 0.167E-02 0.550E-02
DAV: 28 -0.444397625252E+03 -0.29924E-03 -0.69005E-05 1592 0.186E-02 0.488E-02
DAV: 29 -0.444397719590E+03 -0.94338E-04 -0.17085E-05 1200 0.107E-02 0.343E-02
DAV: 30 -0.444397788700E+03 -0.69110E-04 -0.24510E-05 1240 0.118E-02 0.218E-02
DAV: 31 -0.444397819880E+03 -0.31180E-04 -0.10745E-05 1032 0.840E-03 0.323E-02
DAV: 32 -0.444397825413E+03 -0.55326E-05 -0.51219E-06 1000 0.475E-03
1 F= -.44439783E+03 E0= -.44438836E+03 d E =-.283831E-01