iterations/neb0_image04_iter61_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 0.209105555078E+04 0.20911E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.139262147507E+03 -0.22303E+04 -0.21417E+04 2136 0.262E+02
DAV: 3 -0.464898748564E+03 -0.32564E+03 -0.32146E+03 1848 0.107E+02
DAV: 4 -0.477649159705E+03 -0.12750E+02 -0.12700E+02 1976 0.226E+01
DAV: 5 -0.478110808775E+03 -0.46165E+00 -0.46139E+00 2152 0.376E+00 0.430E+01
DAV: 6 -0.448710086765E+03 0.29401E+02 -0.14841E+02 2032 0.321E+01 0.374E+01
DAV: 7 -0.453359596990E+03 -0.46495E+01 -0.22529E+02 1896 0.152E+01 0.205E+01
DAV: 8 -0.447265311445E+03 0.60943E+01 -0.91821E+00 1792 0.894E+00 0.128E+01
DAV: 9 -0.446971556592E+03 0.29375E+00 -0.36972E+01 1960 0.129E+01 0.107E+01
DAV: 10 -0.446132057975E+03 0.83950E+00 -0.38274E+00 1840 0.386E+00 0.101E+01
DAV: 11 -0.444809086705E+03 0.13230E+01 -0.16070E+00 1984 0.305E+00 0.602E+00
DAV: 12 -0.445018284703E+03 -0.20920E+00 -0.81723E+00 2192 0.345E+00 0.813E+00
DAV: 13 -0.444521079510E+03 0.49721E+00 -0.72822E-01 1992 0.263E+00 0.433E+00
DAV: 14 -0.444466086567E+03 0.54993E-01 -0.15045E+00 1872 0.128E+00 0.268E+00
DAV: 15 -0.444495195104E+03 -0.29109E-01 -0.14137E-01 1888 0.763E-01 0.402E+00
DAV: 16 -0.444412952483E+03 0.82243E-01 -0.41605E-01 2080 0.617E-01 0.172E+00
DAV: 17 -0.444427582082E+03 -0.14630E-01 -0.45101E-02 1984 0.414E-01 0.854E-01
DAV: 18 -0.444451041469E+03 -0.23459E-01 -0.47794E-02 1928 0.339E-01 0.138E+00
DAV: 19 -0.444433370173E+03 0.17671E-01 -0.35709E-02 1976 0.297E-01 0.575E-01
DAV: 20 -0.444439460582E+03 -0.60904E-02 -0.58185E-03 1856 0.142E-01 0.503E-01
DAV: 21 -0.444441152135E+03 -0.16916E-02 -0.13694E-03 1912 0.788E-02 0.456E-01
DAV: 22 -0.444442675788E+03 -0.15237E-02 -0.46247E-03 2160 0.121E-01 0.708E-02
DAV: 23 -0.444445052374E+03 -0.23766E-02 -0.14617E-03 1912 0.753E-02 0.164E-01
DAV: 24 -0.444446023115E+03 -0.97074E-03 -0.46428E-04 1872 0.415E-02 0.615E-02
DAV: 25 -0.444446561868E+03 -0.53875E-03 -0.78885E-05 1760 0.172E-02 0.731E-02
DAV: 26 -0.444447013389E+03 -0.45152E-03 -0.10320E-04 1760 0.233E-02 0.880E-02
DAV: 27 -0.444447131689E+03 -0.11830E-03 -0.11835E-04 1576 0.209E-02 0.112E-02
DAV: 28 -0.444447227794E+03 -0.96105E-04 -0.24016E-05 1448 0.115E-02 0.120E-02
DAV: 29 -0.444447267704E+03 -0.39910E-04 -0.84555E-06 1024 0.795E-03 0.805E-03
DAV: 30 -0.444447291240E+03 -0.23536E-04 -0.40495E-06 976 0.503E-03 0.156E-02
DAV: 31 -0.444447325631E+03 -0.34391E-04 -0.62081E-06 1080 0.603E-03 0.156E-02
DAV: 32 -0.444447333076E+03 -0.74443E-05 -0.51576E-06 952 0.542E-03
1 F= -.44444733E+03 E0= -.44444083E+03 d E =-.195237E-01