iterations/neb0_image01_iter8_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 0.208770176589E+04 0.20877E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.140691060230E+03 -0.22284E+04 -0.21411E+04 2136 0.261E+02
DAV: 3 -0.461640194713E+03 -0.32095E+03 -0.31731E+03 1896 0.107E+02
DAV: 4 -0.475237796196E+03 -0.13598E+02 -0.13373E+02 1976 0.227E+01
DAV: 5 -0.475736062468E+03 -0.49827E+00 -0.49793E+00 2080 0.382E+00 0.434E+01
DAV: 6 -0.458643499651E+03 0.17093E+02 -0.24056E+02 2040 0.318E+01 0.411E+01
DAV: 7 -0.449896489489E+03 0.87470E+01 -0.41761E+01 1772 0.140E+01 0.199E+01
DAV: 8 -0.445401651268E+03 0.44948E+01 -0.82282E+00 1784 0.716E+00 0.115E+01
DAV: 9 -0.446605472776E+03 -0.12038E+01 -0.26572E+01 2100 0.807E+00 0.101E+01
DAV: 10 -0.446064159253E+03 0.54131E+00 -0.14957E+00 1832 0.227E+00 0.910E+00
DAV: 11 -0.444839956054E+03 0.12242E+01 -0.18732E+00 1984 0.247E+00 0.574E+00
DAV: 12 -0.444813787450E+03 0.26169E-01 -0.64994E+00 2008 0.273E+00 0.131E+01
DAV: 13 -0.444428057603E+03 0.38573E+00 -0.57168E+00 1944 0.238E+00 0.381E+00
DAV: 14 -0.444458570766E+03 -0.30513E-01 -0.13120E-01 1872 0.742E-01 0.345E+00
DAV: 15 -0.444342638377E+03 0.11593E+00 -0.19820E-02 2040 0.479E-01 0.144E+00
DAV: 16 -0.444347539909E+03 -0.49015E-02 -0.10983E-02 1904 0.341E-01 0.915E-01
DAV: 17 -0.444357094949E+03 -0.95550E-02 -0.12008E-01 2064 0.362E-01 0.622E-01
DAV: 18 -0.444363360847E+03 -0.62659E-02 -0.41549E-03 1912 0.163E-01 0.287E-01
DAV: 19 -0.444363597304E+03 -0.23646E-03 -0.14698E-03 1880 0.860E-02 0.153E-01
DAV: 20 -0.444364617927E+03 -0.10206E-02 -0.51218E-04 1992 0.608E-02 0.483E-02
DAV: 21 -0.444365602096E+03 -0.98417E-03 -0.23305E-04 1792 0.377E-02 0.572E-02
DAV: 22 -0.444366657452E+03 -0.10554E-02 -0.18907E-04 1936 0.377E-02 0.138E-01
DAV: 23 -0.444366676301E+03 -0.18849E-04 -0.15682E-04 1944 0.377E-02 0.332E-02
DAV: 24 -0.444367037924E+03 -0.36162E-03 -0.46231E-05 1680 0.174E-02 0.193E-02
DAV: 25 -0.444367461549E+03 -0.42362E-03 -0.87630E-05 1872 0.210E-02 0.299E-02
DAV: 26 -0.444367641145E+03 -0.17960E-03 -0.25544E-05 1504 0.154E-02 0.135E-02
DAV: 27 -0.444367702504E+03 -0.61360E-04 -0.18037E-05 1416 0.958E-03 0.120E-02
DAV: 28 -0.444367724886E+03 -0.22381E-04 -0.51993E-06 1024 0.551E-03 0.678E-03
DAV: 29 -0.444367750274E+03 -0.25388E-04 -0.39760E-06 1072 0.579E-03 0.162E-02
DAV: 30 -0.444367758195E+03 -0.79209E-05 -0.27873E-06 936 0.437E-03
1 F= -.44436776E+03 E0= -.44436095E+03 d E =-.204368E-01