iterations/neb0_image03_iter16_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 0.209713254065E+04 0.20971E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137710254167E+03 -0.22348E+04 -0.21455E+04 2152 0.262E+02
DAV: 3 -0.464644956360E+03 -0.32693E+03 -0.32276E+03 1864 0.108E+02
DAV: 4 -0.477452277623E+03 -0.12807E+02 -0.12755E+02 1968 0.228E+01
DAV: 5 -0.477951297952E+03 -0.49902E+00 -0.49877E+00 2144 0.389E+00 0.432E+01
DAV: 6 -0.450590771945E+03 0.27361E+02 -0.14723E+02 2016 0.316E+01 0.408E+01
DAV: 7 -0.454414459428E+03 -0.38237E+01 -0.13534E+02 1808 0.150E+01 0.217E+01
DAV: 8 -0.447879425632E+03 0.65350E+01 -0.96707E+00 1880 0.931E+00 0.135E+01
DAV: 9 -0.446154965719E+03 0.17245E+01 -0.18554E+01 2136 0.122E+01 0.121E+01
DAV: 10 -0.445380498586E+03 0.77447E+00 -0.41408E+00 1880 0.365E+00 0.111E+01
DAV: 11 -0.444818637686E+03 0.56186E+00 -0.48849E-01 2040 0.184E+00 0.995E+00
DAV: 12 -0.444260943805E+03 0.55769E+00 -0.69191E+00 2136 0.345E+00 0.909E+00
DAV: 13 -0.444108914327E+03 0.15203E+00 -0.46339E+00 1896 0.289E+00 0.664E+00
DAV: 14 -0.443790235438E+03 0.31868E+00 -0.23333E+00 1888 0.139E+00 0.338E+00
DAV: 15 -0.443782334908E+03 0.79005E-02 -0.16686E-01 1888 0.657E-01 0.105E+00
DAV: 16 -0.443854224801E+03 -0.71890E-01 -0.37900E-01 1936 0.479E-01 0.483E+00
DAV: 17 -0.443756027652E+03 0.98197E-01 -0.53754E-01 2168 0.554E-01 0.106E+00
DAV: 18 -0.443801866315E+03 -0.45839E-01 -0.15200E-02 1768 0.258E-01 0.121E+00
DAV: 19 -0.443796025539E+03 0.58408E-02 -0.25392E-03 1960 0.145E-01 0.991E-01
DAV: 20 -0.443797830902E+03 -0.18054E-02 -0.47253E-03 1968 0.197E-01 0.432E-01
DAV: 21 -0.443804116940E+03 -0.62860E-02 -0.18691E-03 1896 0.977E-02 0.466E-01
DAV: 22 -0.443803321022E+03 0.79592E-03 -0.68163E-04 2160 0.765E-02 0.147E-01
DAV: 23 -0.443806420849E+03 -0.30998E-02 -0.57229E-04 1840 0.523E-02 0.106E-01
DAV: 24 -0.443808150164E+03 -0.17293E-02 -0.28735E-04 1992 0.328E-02 0.386E-02
DAV: 25 -0.443808579601E+03 -0.42944E-03 -0.80042E-05 1832 0.227E-02 0.253E-02
DAV: 26 -0.443808857921E+03 -0.27832E-03 -0.20148E-05 1328 0.112E-02 0.166E-02
DAV: 27 -0.443809417870E+03 -0.55995E-03 -0.90538E-05 1600 0.161E-02 0.320E-02
DAV: 28 -0.443809495193E+03 -0.77323E-04 -0.11883E-05 1320 0.787E-03 0.122E-02
DAV: 29 -0.443809562956E+03 -0.67763E-04 -0.97576E-06 1120 0.804E-03 0.128E-02
DAV: 30 -0.443809582376E+03 -0.19420E-04 -0.21672E-06 952 0.413E-03 0.686E-03
DAV: 31 -0.443809606950E+03 -0.24575E-04 -0.29983E-06 1024 0.518E-03 0.429E-03
DAV: 32 -0.443809616826E+03 -0.98756E-05 -0.11640E-06 936 0.238E-03
1 F= -.44380962E+03 E0= -.44379967E+03 d E =-.298259E-01