iterations/neb0_image08_iter71_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 0.210247599971E+04 0.21025E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142338811433E+03 -0.22448E+04 -0.21543E+04 2176 0.262E+02
DAV: 3 -0.466297780141E+03 -0.32396E+03 -0.32069E+03 1824 0.108E+02
DAV: 4 -0.479054411658E+03 -0.12757E+02 -0.12706E+02 1992 0.227E+01
DAV: 5 -0.479515473119E+03 -0.46106E+00 -0.46084E+00 2112 0.381E+00 0.428E+01
DAV: 6 -0.447421543300E+03 0.32094E+02 -0.14374E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.448602730010E+03 -0.11812E+01 -0.65212E+01 1880 0.110E+01 0.137E+01
DAV: 8 -0.446635415221E+03 0.19673E+01 -0.85259E+00 2488 0.805E+00 0.100E+01
DAV: 9 -0.446705111113E+03 -0.69696E-01 -0.18876E+01 2040 0.453E+00 0.553E+00
DAV: 10 -0.445856399922E+03 0.84871E+00 -0.82897E-01 2216 0.429E+00 0.393E+00
DAV: 11 -0.445890814279E+03 -0.34414E-01 -0.22782E+00 1912 0.179E+00 0.398E+00
DAV: 12 -0.445820835056E+03 0.69979E-01 -0.16706E+00 2088 0.112E+00 0.278E+00
DAV: 13 -0.445862603837E+03 -0.41769E-01 -0.13206E+00 2136 0.826E-01 0.356E+00
DAV: 14 -0.445780768616E+03 0.81835E-01 -0.37631E-01 2000 0.684E-01 0.312E-01
DAV: 15 -0.445796291216E+03 -0.15523E-01 -0.33683E-02 2008 0.315E-01 0.974E-01
DAV: 16 -0.445792119588E+03 0.41716E-02 -0.16884E-02 1928 0.178E-01 0.130E-01
DAV: 17 -0.445794541582E+03 -0.24220E-02 -0.21493E-03 1848 0.996E-02 0.151E-01
DAV: 18 -0.445797003448E+03 -0.24619E-02 -0.11152E-03 1936 0.682E-02 0.177E-01
DAV: 19 -0.445799028607E+03 -0.20252E-02 -0.58215E-04 2072 0.690E-02 0.194E-01
DAV: 20 -0.445800805494E+03 -0.17769E-02 -0.10166E-03 2136 0.825E-02 0.136E-01
DAV: 21 -0.445801484925E+03 -0.67943E-03 -0.28308E-04 1848 0.385E-02 0.339E-02
DAV: 22 -0.445802231472E+03 -0.74655E-03 -0.26373E-04 1768 0.373E-02 0.575E-02
DAV: 23 -0.445802599873E+03 -0.36840E-03 -0.18643E-04 1904 0.268E-02 0.112E-01
DAV: 24 -0.445802645316E+03 -0.45443E-04 -0.99063E-05 1576 0.233E-02 0.168E-02
DAV: 25 -0.445802724897E+03 -0.79581E-04 -0.28084E-05 1408 0.129E-02 0.137E-02
DAV: 26 -0.445802782050E+03 -0.57153E-04 -0.89304E-06 1088 0.793E-03 0.147E-02
DAV: 27 -0.445802824965E+03 -0.42915E-04 -0.59457E-06 1032 0.632E-03 0.327E-03
DAV: 28 -0.445802842226E+03 -0.17261E-04 -0.15612E-06 936 0.309E-03 0.171E-03
DAV: 29 -0.445802860108E+03 -0.17881E-04 -0.14186E-06 1000 0.260E-03 0.488E-03
DAV: 30 -0.445802865225E+03 -0.51173E-05 -0.48122E-07 936 0.190E-03
1 F= -.44580287E+03 E0= -.44577610E+03 d E =-.802976E-01