iterations/neb0_image04_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 0.209038270820E+04 0.20904E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.137853159059E+03 -0.22282E+04 -0.21364E+04 2136 0.261E+02
DAV: 3 -0.464082100889E+03 -0.32623E+03 -0.32255E+03 1872 0.108E+02
DAV: 4 -0.476709813022E+03 -0.12628E+02 -0.12577E+02 1944 0.226E+01
DAV: 5 -0.477202430131E+03 -0.49262E+00 -0.49233E+00 2136 0.386E+00 0.431E+01
DAV: 6 -0.446762332919E+03 0.30440E+02 -0.14651E+02 2048 0.318E+01 0.338E+01
DAV: 7 -0.450268728817E+03 -0.35064E+01 -0.92732E+01 1888 0.155E+01 0.188E+01
DAV: 8 -0.444144794920E+03 0.61239E+01 -0.84883E+00 1976 0.103E+01 0.114E+01
DAV: 9 -0.451540891493E+03 -0.73961E+01 -0.42281E+01 2152 0.148E+01 0.332E+01
DAV: 10 -0.443982739726E+03 0.75582E+01 -0.14152E+01 1776 0.468E+00 0.912E+00
DAV: 11 -0.443878836430E+03 0.10390E+00 -0.72446E+00 2048 0.208E+00 0.129E+01
DAV: 12 -0.443383733741E+03 0.49510E+00 -0.38035E+00 1976 0.115E+00 0.763E+00
DAV: 13 -0.443118115121E+03 0.26562E+00 -0.19735E-01 2024 0.128E+00 0.531E+00
DAV: 14 -0.443284102517E+03 -0.16599E+00 -0.65391E+00 2144 0.305E+00 0.814E+00
DAV: 15 -0.442744141120E+03 0.53996E+00 -0.15349E+00 1832 0.163E+00 0.407E+00
DAV: 16 -0.442774737036E+03 -0.30596E-01 -0.15036E-01 2032 0.695E-01 0.320E+00
DAV: 17 -0.442771657262E+03 0.30798E-02 -0.15370E-01 1880 0.578E-01 0.167E+00
DAV: 18 -0.442786223558E+03 -0.14566E-01 -0.24765E-02 1912 0.233E-01 0.876E-01
DAV: 19 -0.442798673245E+03 -0.12450E-01 -0.28817E-02 1904 0.190E-01 0.446E-01
DAV: 20 -0.442804440452E+03 -0.57672E-02 -0.38610E-03 1864 0.109E-01 0.227E-01
DAV: 21 -0.442808954414E+03 -0.45140E-02 -0.23362E-03 1832 0.917E-02 0.151E-01
DAV: 22 -0.442810912957E+03 -0.19585E-02 -0.51925E-04 2056 0.548E-02 0.125E-01
DAV: 23 -0.442813263986E+03 -0.23510E-02 -0.10249E-03 1984 0.750E-02 0.126E-01
DAV: 24 -0.442814044660E+03 -0.78067E-03 -0.21279E-04 1888 0.299E-02 0.846E-02
DAV: 25 -0.442814863951E+03 -0.81929E-03 -0.31211E-04 1904 0.265E-02 0.506E-02
DAV: 26 -0.442815762627E+03 -0.89868E-03 -0.22941E-04 1688 0.224E-02 0.284E-02
DAV: 27 -0.442816172297E+03 -0.40967E-03 -0.79840E-05 1608 0.165E-02 0.191E-02
DAV: 28 -0.442816302739E+03 -0.13044E-03 -0.44512E-05 1704 0.135E-02 0.209E-02
DAV: 29 -0.442816319964E+03 -0.17224E-04 -0.16042E-05 936 0.833E-03 0.254E-02
DAV: 30 -0.442816360373E+03 -0.40409E-04 -0.98349E-06 1040 0.701E-03 0.187E-02
DAV: 31 -0.442816391179E+03 -0.30806E-04 -0.48835E-06 1064 0.383E-03 0.123E-02
DAV: 32 -0.442816402452E+03 -0.11273E-04 -0.25350E-06 936 0.286E-03 0.505E-03
DAV: 33 -0.442816411953E+03 -0.95008E-05 -0.88475E-07 936 0.209E-03
1 F= -.44281641E+03 E0= -.44279958E+03 d E =-.504880E-01