iterations/neb0_image05_iter3_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 0.209669085116E+04 0.20967E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.138033081106E+03 -0.22347E+04 -0.21443E+04 2144 0.262E+02
DAV: 3 -0.462912829690E+03 -0.32488E+03 -0.32016E+03 1864 0.107E+02
DAV: 4 -0.475876566615E+03 -0.12964E+02 -0.12909E+02 1976 0.227E+01
DAV: 5 -0.476352673503E+03 -0.47611E+00 -0.47585E+00 2128 0.381E+00 0.434E+01
DAV: 6 -0.446527397574E+03 0.29825E+02 -0.14861E+02 2056 0.318E+01 0.294E+01
DAV: 7 -0.445821739472E+03 0.70566E+00 -0.59405E+01 1896 0.135E+01 0.160E+01
DAV: 8 -0.444163258578E+03 0.16585E+01 -0.67060E+00 2120 0.114E+01 0.976E+00
DAV: 9 -0.443151368018E+03 0.10119E+01 -0.61700E+00 2064 0.541E+00 0.708E+00
DAV: 10 -0.443136652620E+03 0.14715E-01 -0.83499E+00 1920 0.304E+00 0.371E+00
DAV: 11 -0.442960221426E+03 0.17643E+00 -0.78751E-01 1960 0.199E+00 0.196E+00
DAV: 12 -0.442895900387E+03 0.64321E-01 -0.23940E-01 1944 0.101E+00 0.138E+00
DAV: 13 -0.443099080213E+03 -0.20318E+00 -0.19099E+00 1960 0.496E-01 0.125E+01
DAV: 14 -0.442777168386E+03 0.32191E+00 -0.22386E+00 1880 0.666E-01 0.217E+00
DAV: 15 -0.442913566193E+03 -0.13640E+00 -0.18035E-01 1904 0.639E-01 0.217E+00
DAV: 16 -0.442891069774E+03 0.22496E-01 -0.88823E-02 1976 0.326E-01 0.121E+00
DAV: 17 -0.442899439701E+03 -0.83699E-02 -0.70697E-03 1792 0.173E-01 0.445E-01
DAV: 18 -0.442902672206E+03 -0.32325E-02 -0.21647E-03 1960 0.799E-02 0.235E-01
DAV: 19 -0.442904861993E+03 -0.21898E-02 -0.27876E-03 1984 0.753E-02 0.753E-02
DAV: 20 -0.442908311688E+03 -0.34497E-02 -0.24315E-03 1912 0.679E-02 0.474E-01
DAV: 21 -0.442908701163E+03 -0.38947E-03 -0.23995E-03 1880 0.511E-02 0.166E-01
DAV: 22 -0.442910308882E+03 -0.16077E-02 -0.70376E-04 1784 0.382E-02 0.158E-01
DAV: 23 -0.442911175074E+03 -0.86619E-03 -0.19167E-04 1808 0.286E-02 0.115E-01
DAV: 24 -0.442911273164E+03 -0.98090E-04 -0.21068E-05 1472 0.101E-02 0.113E-01
DAV: 25 -0.442911386879E+03 -0.11372E-03 -0.52606E-05 1664 0.148E-02 0.490E-02
DAV: 26 -0.442911505655E+03 -0.11878E-03 -0.38078E-05 1120 0.865E-03 0.162E-02
DAV: 27 -0.442911582128E+03 -0.76473E-04 -0.18052E-05 1184 0.609E-03 0.440E-02
DAV: 28 -0.442911598867E+03 -0.16739E-04 -0.12951E-05 1000 0.651E-03 0.704E-03
DAV: 29 -0.442911620115E+03 -0.21249E-04 -0.31505E-06 992 0.340E-03 0.102E-02
DAV: 30 -0.442911631945E+03 -0.11830E-04 -0.16746E-06 984 0.185E-03 0.799E-03
DAV: 31 -0.442911635904E+03 -0.39591E-05 -0.52626E-07 936 0.116E-03
1 F= -.44291164E+03 E0= -.44290507E+03 d E =-.196909E-01