iterations/neb0_image06_iter11_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 0.209630944955E+04 0.20963E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.137459633130E+03 -0.22338E+04 -0.21432E+04 2144 0.262E+02
DAV: 3 -0.462916209258E+03 -0.32546E+03 -0.32042E+03 1936 0.108E+02
DAV: 4 -0.475675768963E+03 -0.12760E+02 -0.12721E+02 1968 0.226E+01
DAV: 5 -0.476081837354E+03 -0.40607E+00 -0.40583E+00 2096 0.363E+00 0.430E+01
DAV: 6 -0.448832548587E+03 0.27249E+02 -0.15099E+02 2040 0.328E+01 0.312E+01
DAV: 7 -0.448076139927E+03 0.75641E+00 -0.11217E+02 1968 0.159E+01 0.177E+01
DAV: 8 -0.445386915034E+03 0.26892E+01 -0.12706E+01 2136 0.119E+01 0.101E+01
DAV: 9 -0.444846759296E+03 0.54016E+00 -0.60821E+00 1824 0.577E+00 0.737E+00
DAV: 10 -0.444407674608E+03 0.43908E+00 -0.20487E+00 1888 0.344E+00 0.275E+00
DAV: 11 -0.444442009063E+03 -0.34334E-01 -0.74596E-01 1944 0.200E+00 0.307E+00
DAV: 12 -0.444569112114E+03 -0.12710E+00 -0.17535E+00 2248 0.253E+00 0.333E+00
DAV: 13 -0.444412902176E+03 0.15621E+00 -0.11703E-01 1880 0.975E-01 0.209E+00
DAV: 14 -0.444380798554E+03 0.32104E-01 -0.11572E-01 2048 0.681E-01 0.415E-01
DAV: 15 -0.444392002600E+03 -0.11204E-01 -0.21530E-02 1864 0.304E-01 0.565E-01
DAV: 16 -0.444396326888E+03 -0.43243E-02 -0.93148E-02 2160 0.388E-01 0.630E-01
DAV: 17 -0.444393700163E+03 0.26267E-02 -0.87044E-03 1968 0.201E-01 0.115E-01
DAV: 18 -0.444395752057E+03 -0.20519E-02 -0.15479E-03 1880 0.716E-02 0.213E-01
DAV: 19 -0.444397248787E+03 -0.14967E-02 -0.56255E-03 2424 0.118E-01 0.117E-01
DAV: 20 -0.444399416885E+03 -0.21681E-02 -0.67413E-04 1792 0.541E-02 0.715E-02
DAV: 21 -0.444400041337E+03 -0.62445E-03 -0.23773E-04 1968 0.386E-02 0.529E-02
DAV: 22 -0.444400477219E+03 -0.43588E-03 -0.85131E-05 1808 0.205E-02 0.657E-02
DAV: 23 -0.444400726312E+03 -0.24909E-03 -0.25378E-04 1664 0.215E-02 0.129E-02
DAV: 24 -0.444401140001E+03 -0.41369E-03 -0.11439E-04 1776 0.200E-02 0.145E-02
DAV: 25 -0.444401196915E+03 -0.56914E-04 -0.16191E-05 1320 0.102E-02 0.183E-02
DAV: 26 -0.444401227829E+03 -0.30914E-04 -0.13592E-05 968 0.973E-03 0.146E-02
DAV: 27 -0.444401245552E+03 -0.17723E-04 -0.11471E-05 1040 0.576E-03 0.440E-03
DAV: 28 -0.444401262217E+03 -0.16666E-04 -0.34324E-06 952 0.537E-03 0.166E-03
DAV: 29 -0.444401272210E+03 -0.99927E-05 -0.14911E-06 952 0.288E-03
1 F= -.44440127E+03 E0= -.44439356E+03 d E =-.231225E-01