iterations/neb0_image03_iter7_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 0.209631729806E+04 0.20963E+04 -0.11598E+05 1696 0.105E+03
DAV: 2 -0.136789847565E+03 -0.22331E+04 -0.21438E+04 2144 0.261E+02
DAV: 3 -0.463844295319E+03 -0.32705E+03 -0.32296E+03 1856 0.108E+02
DAV: 4 -0.476909081550E+03 -0.13065E+02 -0.13014E+02 1984 0.229E+01
DAV: 5 -0.477386364835E+03 -0.47728E+00 -0.47706E+00 2116 0.383E+00 0.432E+01
DAV: 6 -0.449342126168E+03 0.28044E+02 -0.14677E+02 2024 0.315E+01 0.410E+01
DAV: 7 -0.454191930091E+03 -0.48498E+01 -0.18708E+02 1824 0.154E+01 0.218E+01
DAV: 8 -0.447823472424E+03 0.63685E+01 -0.98767E+00 1832 0.911E+00 0.135E+01
DAV: 9 -0.445404080256E+03 0.24194E+01 -0.17760E+01 2112 0.119E+01 0.119E+01
DAV: 10 -0.444657882629E+03 0.74620E+00 -0.34863E+00 1896 0.364E+00 0.109E+01
DAV: 11 -0.443923039155E+03 0.73484E+00 -0.38801E-01 2048 0.193E+00 0.989E+00
DAV: 12 -0.445197883161E+03 -0.12748E+01 -0.28822E+01 2192 0.444E+00 0.985E+00
DAV: 13 -0.443326079585E+03 0.18718E+01 -0.78356E-01 1984 0.339E+00 0.473E+00
DAV: 14 -0.443284509357E+03 0.41570E-01 -0.92526E-01 1864 0.112E+00 0.214E+00
DAV: 15 -0.443808464057E+03 -0.52395E+00 -0.41608E+00 2032 0.114E+00 0.954E+00
DAV: 16 -0.443207007847E+03 0.60146E+00 -0.62284E-01 2400 0.135E+00 0.212E+00
DAV: 17 -0.443305635974E+03 -0.98628E-01 -0.76349E-02 1872 0.477E-01 0.951E-01
DAV: 18 -0.443333623743E+03 -0.27988E-01 -0.14423E-01 1896 0.340E-01 0.330E+00
DAV: 19 -0.443285250094E+03 0.48374E-01 -0.30703E-01 1920 0.374E-01 0.891E-01
DAV: 20 -0.443310415774E+03 -0.25166E-01 -0.85299E-03 1872 0.174E-01 0.478E-01
DAV: 21 -0.443311041993E+03 -0.62622E-03 -0.20993E-03 2032 0.116E-01 0.260E-01
DAV: 22 -0.443314439913E+03 -0.33979E-02 -0.19765E-03 1968 0.926E-02 0.468E-01
DAV: 23 -0.443314506583E+03 -0.66670E-04 -0.22831E-03 1888 0.640E-02 0.113E-01
DAV: 24 -0.443318598757E+03 -0.40922E-02 -0.14169E-03 1920 0.707E-02 0.565E-01
DAV: 25 -0.443316283697E+03 0.23151E-02 -0.12259E-03 1880 0.488E-02 0.194E-01
DAV: 26 -0.443318896572E+03 -0.26129E-02 -0.39199E-04 1768 0.348E-02 0.372E-01
DAV: 27 -0.443318365296E+03 0.53128E-03 -0.38419E-04 1840 0.280E-02 0.121E-01
DAV: 28 -0.443319462695E+03 -0.10974E-02 -0.11978E-04 1672 0.223E-02 0.337E-02
DAV: 29 -0.443319825031E+03 -0.36234E-03 -0.65544E-05 1720 0.216E-02 0.203E-02
DAV: 30 -0.443319865197E+03 -0.40167E-04 -0.11086E-05 1032 0.794E-03 0.149E-02
DAV: 31 -0.443319946483E+03 -0.81285E-04 -0.16504E-05 1184 0.975E-03 0.486E-03
DAV: 32 -0.443319991590E+03 -0.45107E-04 -0.13318E-05 1088 0.728E-03 0.416E-02
DAV: 33 -0.443319987861E+03 0.37283E-05 -0.71524E-06 944 0.468E-03
1 F= -.44331999E+03 E0= -.44330705E+03 d E =-.387999E-01