iterations/neb0_image01_iter23_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 0.208834331504E+04 0.20883E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140583932545E+03 -0.22289E+04 -0.21398E+04 2136 0.261E+02
DAV: 3 -0.461969566586E+03 -0.32139E+03 -0.31740E+03 1920 0.107E+02
DAV: 4 -0.475709968503E+03 -0.13740E+02 -0.13574E+02 1960 0.228E+01
DAV: 5 -0.476188748900E+03 -0.47878E+00 -0.47847E+00 2124 0.380E+00 0.434E+01
DAV: 6 -0.457085353466E+03 0.19103E+02 -0.19617E+02 2016 0.316E+01 0.411E+01
DAV: 7 -0.452269464936E+03 0.48159E+01 -0.41985E+01 1768 0.139E+01 0.220E+01
DAV: 8 -0.445402354109E+03 0.68671E+01 -0.95472E+00 1808 0.796E+00 0.105E+01
DAV: 9 -0.445138140784E+03 0.26421E+00 -0.64829E+00 1904 0.567E+00 0.888E+00
DAV: 10 -0.444433380229E+03 0.70476E+00 -0.72992E-01 1888 0.227E+00 0.520E+00
DAV: 11 -0.446108729000E+03 -0.16753E+01 -0.16014E+01 2024 0.250E+00 0.134E+01
DAV: 12 -0.444227233220E+03 0.18815E+01 -0.59799E-01 1992 0.235E+00 0.129E+00
DAV: 13 -0.444376459086E+03 -0.14923E+00 -0.11536E-01 1928 0.745E-01 0.702E-01
DAV: 14 -0.444400080746E+03 -0.23622E-01 -0.32006E-02 2000 0.451E-01 0.984E-01
DAV: 15 -0.444397118869E+03 0.29619E-02 -0.74138E-03 1976 0.282E-01 0.443E-01
DAV: 16 -0.444399590883E+03 -0.24720E-02 -0.23763E-03 1888 0.145E-01 0.173E-01
DAV: 17 -0.444402020079E+03 -0.24292E-02 -0.18686E-03 1976 0.106E-01 0.281E-01
DAV: 18 -0.444403119874E+03 -0.10998E-02 -0.33869E-04 1936 0.515E-02 0.144E-01
DAV: 19 -0.444405762511E+03 -0.26426E-02 -0.51814E-04 1872 0.633E-02 0.320E-02
DAV: 20 -0.444406931149E+03 -0.11686E-02 -0.23715E-04 1944 0.373E-02 0.437E-02
DAV: 21 -0.444407550113E+03 -0.61896E-03 -0.10870E-04 1936 0.313E-02 0.188E-02
DAV: 22 -0.444408778989E+03 -0.12289E-02 -0.20516E-04 1776 0.242E-02 0.228E-02
DAV: 23 -0.444409061565E+03 -0.28258E-03 -0.57628E-05 1736 0.209E-02 0.155E-02
DAV: 24 -0.444409146849E+03 -0.85283E-04 -0.50163E-05 1776 0.185E-02 0.997E-03
DAV: 25 -0.444409193510E+03 -0.46661E-04 -0.65275E-06 1000 0.921E-03 0.593E-03
DAV: 26 -0.444409276922E+03 -0.83412E-04 -0.16252E-05 1264 0.990E-03 0.532E-03
DAV: 27 -0.444409293705E+03 -0.16783E-04 -0.22012E-06 976 0.385E-03 0.286E-03
DAV: 28 -0.444409307691E+03 -0.13986E-04 -0.13115E-06 1000 0.280E-03 0.226E-03
DAV: 29 -0.444409321780E+03 -0.14089E-04 -0.58143E-07 976 0.156E-03 0.135E-03
DAV: 30 -0.444409332182E+03 -0.10401E-04 -0.62842E-07 1056 0.162E-03 0.638E-04
DAV: 31 -0.444409333616E+03 -0.14346E-05 -0.16159E-07 936 0.892E-04
1 F= -.44440933E+03 E0= -.44440298E+03 d E =-.190753E-01