iterations/neb0_image08_iter69_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 0.210181836050E+04 0.21018E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.142090909938E+03 -0.22439E+04 -0.21537E+04 2168 0.262E+02
DAV: 3 -0.466235459295E+03 -0.32414E+03 -0.32085E+03 1824 0.108E+02
DAV: 4 -0.479058262359E+03 -0.12823E+02 -0.12771E+02 2000 0.228E+01
DAV: 5 -0.479511356911E+03 -0.45309E+00 -0.45286E+00 2088 0.378E+00 0.427E+01
DAV: 6 -0.447382007100E+03 0.32129E+02 -0.14360E+02 2016 0.308E+01 0.271E+01
DAV: 7 -0.448624388218E+03 -0.12424E+01 -0.65994E+01 1888 0.110E+01 0.137E+01
DAV: 8 -0.446580776483E+03 0.20436E+01 -0.84843E+00 2504 0.801E+00 0.100E+01
DAV: 9 -0.446743572518E+03 -0.16280E+00 -0.19916E+01 2064 0.453E+00 0.555E+00
DAV: 10 -0.445827901874E+03 0.91567E+00 -0.88891E-01 2256 0.429E+00 0.355E+00
DAV: 11 -0.445883847057E+03 -0.55945E-01 -0.20981E+00 1904 0.174E+00 0.388E+00
DAV: 12 -0.445819175316E+03 0.64672E-01 -0.16673E+00 2056 0.111E+00 0.286E+00
DAV: 13 -0.445847327160E+03 -0.28152E-01 -0.12374E+00 2112 0.806E-01 0.333E+00
DAV: 14 -0.445777002726E+03 0.70324E-01 -0.33934E-01 1968 0.659E-01 0.310E-01
DAV: 15 -0.445791951154E+03 -0.14948E-01 -0.32354E-02 2000 0.308E-01 0.104E+00
DAV: 16 -0.445786969357E+03 0.49818E-02 -0.18864E-02 1936 0.183E-01 0.114E-01
DAV: 17 -0.445790284061E+03 -0.33147E-02 -0.21780E-03 1864 0.110E-01 0.254E-01
DAV: 18 -0.445792660448E+03 -0.23764E-02 -0.25166E-03 2120 0.860E-02 0.320E-01
DAV: 19 -0.445794057969E+03 -0.13975E-02 -0.76482E-04 1928 0.781E-02 0.178E-01
DAV: 20 -0.445796000436E+03 -0.19425E-02 -0.13026E-03 2160 0.902E-02 0.124E-01
DAV: 21 -0.445796542891E+03 -0.54246E-03 -0.31228E-04 1928 0.440E-02 0.460E-02
DAV: 22 -0.445797187014E+03 -0.64412E-03 -0.25514E-04 1824 0.358E-02 0.690E-02
DAV: 23 -0.445797527395E+03 -0.34038E-03 -0.12992E-04 1840 0.231E-02 0.586E-02
DAV: 24 -0.445797649796E+03 -0.12240E-03 -0.47259E-05 1344 0.158E-02 0.246E-02
DAV: 25 -0.445797759225E+03 -0.10943E-03 -0.14328E-05 1144 0.957E-03 0.458E-03
DAV: 26 -0.445797816601E+03 -0.57376E-04 -0.52967E-06 1104 0.570E-03 0.345E-03
DAV: 27 -0.445797837714E+03 -0.21113E-04 -0.24423E-06 936 0.412E-03 0.368E-03
DAV: 28 -0.445797855863E+03 -0.18149E-04 -0.12344E-06 992 0.275E-03 0.292E-03
DAV: 29 -0.445797867446E+03 -0.11584E-04 -0.80493E-07 936 0.178E-03 0.189E-03
DAV: 30 -0.445797872278E+03 -0.48324E-05 -0.26645E-07 936 0.137E-03
1 F= -.44579787E+03 E0= -.44577094E+03 d E =-.807906E-01