iterations/neb0_image08_iter64_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 0.210179328865E+04 0.21018E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.142354695930E+03 -0.22441E+04 -0.21537E+04 2176 0.262E+02
DAV: 3 -0.466271908127E+03 -0.32392E+03 -0.32064E+03 1824 0.108E+02
DAV: 4 -0.479034818821E+03 -0.12763E+02 -0.12712E+02 1992 0.227E+01
DAV: 5 -0.479496289158E+03 -0.46147E+00 -0.46125E+00 2120 0.381E+00 0.427E+01
DAV: 6 -0.447472525968E+03 0.32024E+02 -0.14338E+02 2008 0.311E+01 0.271E+01
DAV: 7 -0.448535762836E+03 -0.10632E+01 -0.63647E+01 1872 0.110E+01 0.137E+01
DAV: 8 -0.446736391656E+03 0.17994E+01 -0.85099E+00 2488 0.803E+00 0.100E+01
DAV: 9 -0.446613543950E+03 0.12285E+00 -0.16748E+01 2024 0.451E+00 0.551E+00
DAV: 10 -0.445931063941E+03 0.68248E+00 -0.82499E-01 2200 0.432E+00 0.472E+00
DAV: 11 -0.445885957571E+03 0.45106E-01 -0.26821E+00 1912 0.192E+00 0.406E+00
DAV: 12 -0.445812104382E+03 0.73853E-01 -0.16073E+00 1976 0.113E+00 0.256E+00
DAV: 13 -0.445836439943E+03 -0.24336E-01 -0.98822E-01 2032 0.751E-01 0.299E+00
DAV: 14 -0.445784115670E+03 0.52324E-01 -0.40009E-01 2080 0.658E-01 0.626E-01
DAV: 15 -0.445792143947E+03 -0.80283E-02 -0.14037E-02 1912 0.272E-01 0.471E-01
DAV: 16 -0.445792140692E+03 0.32553E-05 -0.34933E-03 1904 0.120E-01 0.249E-01
DAV: 17 -0.445793677764E+03 -0.15371E-02 -0.18635E-03 1944 0.914E-02 0.864E-02
DAV: 18 -0.445796212173E+03 -0.25344E-02 -0.37716E-04 1888 0.579E-02 0.105E-01
DAV: 19 -0.445798978223E+03 -0.27660E-02 -0.76237E-04 1960 0.708E-02 0.243E-01
DAV: 20 -0.445800286613E+03 -0.13084E-02 -0.10956E-03 2040 0.787E-02 0.237E-01
DAV: 21 -0.445801044621E+03 -0.75801E-03 -0.43997E-04 1776 0.483E-02 0.328E-02
DAV: 22 -0.445801454786E+03 -0.41016E-03 -0.11878E-04 1832 0.275E-02 0.124E-02
DAV: 23 -0.445801725758E+03 -0.27097E-03 -0.85817E-05 1728 0.221E-02 0.304E-02
DAV: 24 -0.445801836744E+03 -0.11099E-03 -0.37551E-05 1544 0.179E-02 0.217E-02
DAV: 25 -0.445801901567E+03 -0.64824E-04 -0.20538E-05 1232 0.107E-02 0.159E-02
DAV: 26 -0.445801956238E+03 -0.54670E-04 -0.41042E-06 1064 0.573E-03 0.170E-02
DAV: 27 -0.445801991058E+03 -0.34821E-04 -0.37465E-06 1016 0.562E-03 0.258E-03
DAV: 28 -0.445802009888E+03 -0.18829E-04 -0.19541E-06 936 0.346E-03 0.393E-03
DAV: 29 -0.445802022091E+03 -0.12203E-04 -0.89884E-07 984 0.192E-03 0.161E-03
DAV: 30 -0.445802027689E+03 -0.55980E-05 -0.40731E-07 936 0.175E-03
1 F= -.44580203E+03 E0= -.44577544E+03 d E =-.797615E-01