iterations/neb0_image08_iter25_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 0.210203510599E+04 0.21020E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.141079267304E+03 -0.22431E+04 -0.21539E+04 2160 0.262E+02
DAV: 3 -0.466468657889E+03 -0.32539E+03 -0.32211E+03 1848 0.108E+02
DAV: 4 -0.478815038803E+03 -0.12346E+02 -0.12296E+02 1960 0.224E+01
DAV: 5 -0.479274010191E+03 -0.45897E+00 -0.45875E+00 2168 0.379E+00 0.427E+01
DAV: 6 -0.447569992099E+03 0.31704E+02 -0.14470E+02 1992 0.311E+01 0.270E+01
DAV: 7 -0.447829892041E+03 -0.25990E+00 -0.42213E+01 1848 0.113E+01 0.135E+01
DAV: 8 -0.447043668819E+03 0.78622E+00 -0.80602E+00 2480 0.799E+00 0.997E+00
DAV: 9 -0.445963013518E+03 0.10807E+01 -0.91943E+00 2088 0.456E+00 0.567E+00
DAV: 10 -0.446258401951E+03 -0.29539E+00 -0.50973E+00 2144 0.443E+00 0.644E+00
DAV: 11 -0.445587265732E+03 0.67114E+00 -0.11621E+00 1912 0.212E+00 0.255E+00
DAV: 12 -0.445620542700E+03 -0.33277E-01 -0.10409E+00 1984 0.138E+00 0.307E+00
DAV: 13 -0.445599502620E+03 0.21040E-01 -0.76146E-01 2000 0.843E-01 0.174E+00
DAV: 14 -0.445633230778E+03 -0.33728E-01 -0.66980E-01 1976 0.604E-01 0.288E+00
DAV: 15 -0.445588790404E+03 0.44440E-01 -0.12684E-01 2120 0.487E-01 0.590E-01
DAV: 16 -0.445594671732E+03 -0.58813E-02 -0.16092E-02 1936 0.245E-01 0.295E-01
DAV: 17 -0.445597300290E+03 -0.26286E-02 -0.45796E-03 1880 0.143E-01 0.203E-01
DAV: 18 -0.445598689947E+03 -0.13897E-02 -0.22170E-03 1912 0.109E-01 0.240E-01
DAV: 19 -0.445600172400E+03 -0.14825E-02 -0.77368E-04 2272 0.108E-01 0.115E-01
DAV: 20 -0.445602071465E+03 -0.18991E-02 -0.24692E-03 1984 0.115E-01 0.178E-01
DAV: 21 -0.445603625508E+03 -0.15540E-02 -0.11752E-03 2008 0.825E-02 0.312E-02
DAV: 22 -0.445604426586E+03 -0.80108E-03 -0.27915E-04 1760 0.346E-02 0.288E-02
DAV: 23 -0.445604972937E+03 -0.54635E-03 -0.19632E-04 1768 0.225E-02 0.763E-02
DAV: 24 -0.445605117827E+03 -0.14489E-03 -0.54685E-05 1568 0.193E-02 0.261E-02
DAV: 25 -0.445605219835E+03 -0.10201E-03 -0.20928E-05 1128 0.102E-02 0.666E-03
DAV: 26 -0.445605301864E+03 -0.82029E-04 -0.80817E-06 1128 0.631E-03 0.822E-03
DAV: 27 -0.445605335531E+03 -0.33667E-04 -0.34982E-06 944 0.353E-03 0.336E-03
DAV: 28 -0.445605376040E+03 -0.40509E-04 -0.23261E-06 1064 0.255E-03 0.124E-03
DAV: 29 -0.445605384822E+03 -0.87816E-05 -0.19248E-06 936 0.205E-03
1 F= -.44560538E+03 E0= -.44558019E+03 d E =-.755932E-01