iterations/neb0_image05_iter13_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 0.209640475907E+04 0.20964E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.136938588130E+03 -0.22333E+04 -0.21386E+04 2128 0.262E+02
DAV: 3 -0.462428686011E+03 -0.32549E+03 -0.32044E+03 1880 0.108E+02
DAV: 4 -0.475678645459E+03 -0.13250E+02 -0.13199E+02 1976 0.229E+01
DAV: 5 -0.476132767798E+03 -0.45412E+00 -0.45383E+00 2120 0.375E+00 0.430E+01
DAV: 6 -0.449049381400E+03 0.27083E+02 -0.15248E+02 2064 0.327E+01 0.347E+01
DAV: 7 -0.450231773556E+03 -0.11824E+01 -0.14642E+02 1924 0.163E+01 0.196E+01
DAV: 8 -0.445222945535E+03 0.50088E+01 -0.11035E+01 1944 0.109E+01 0.119E+01
DAV: 9 -0.444549844649E+03 0.67310E+00 -0.22147E+01 1984 0.837E+00 0.749E+00
DAV: 10 -0.444942783459E+03 -0.39294E+00 -0.13125E+01 2024 0.529E+00 0.916E+00
DAV: 11 -0.444629601873E+03 0.31318E+00 -0.77729E-01 1840 0.162E+00 0.832E+00
DAV: 12 -0.443979688612E+03 0.64991E+00 -0.77829E-01 2248 0.226E+00 0.494E+00
DAV: 13 -0.444749562498E+03 -0.76987E+00 -0.90944E+00 1936 0.351E+00 0.113E+01
DAV: 14 -0.443945042297E+03 0.80452E+00 -0.12257E+00 2040 0.177E+00 0.412E+00
DAV: 15 -0.443906304052E+03 0.38738E-01 -0.94610E-01 2008 0.183E+00 0.182E+00
DAV: 16 -0.443908621990E+03 -0.23179E-02 -0.96980E-02 1848 0.742E-01 0.127E+00
DAV: 17 -0.443896116501E+03 0.12505E-01 -0.26244E-02 2056 0.327E-01 0.658E-01
DAV: 18 -0.443895100751E+03 0.10157E-02 -0.25634E-02 2280 0.285E-01 0.323E-01
DAV: 19 -0.443897536252E+03 -0.24355E-02 -0.54385E-03 1896 0.189E-01 0.169E-01
DAV: 20 -0.443899367421E+03 -0.18312E-02 -0.26444E-03 1920 0.117E-01 0.151E-01
DAV: 21 -0.443900743191E+03 -0.13758E-02 -0.57784E-04 2056 0.521E-02 0.889E-02
DAV: 22 -0.443902767765E+03 -0.20246E-02 -0.56627E-04 1864 0.493E-02 0.474E-02
DAV: 23 -0.443903869555E+03 -0.11018E-02 -0.41267E-04 1912 0.398E-02 0.523E-02
DAV: 24 -0.443904407299E+03 -0.53774E-03 -0.94945E-05 1824 0.184E-02 0.570E-02
DAV: 25 -0.443904788868E+03 -0.38157E-03 -0.69392E-05 1648 0.163E-02 0.351E-02
DAV: 26 -0.443905048666E+03 -0.25980E-03 -0.66958E-05 1560 0.152E-02 0.205E-02
DAV: 27 -0.443905157742E+03 -0.10908E-03 -0.13310E-05 1392 0.108E-02 0.140E-02
DAV: 28 -0.443905228266E+03 -0.70524E-04 -0.21199E-05 1472 0.104E-02 0.792E-03
DAV: 29 -0.443905243646E+03 -0.15380E-04 -0.55370E-06 1000 0.841E-03 0.540E-03
DAV: 30 -0.443905253885E+03 -0.10239E-04 -0.56278E-06 960 0.586E-03 0.500E-03
DAV: 31 -0.443905264359E+03 -0.10474E-04 -0.16424E-06 976 0.387E-03 0.243E-03
DAV: 32 -0.443905270100E+03 -0.57410E-05 -0.17578E-06 936 0.350E-03
1 F= -.44390527E+03 E0= -.44389776E+03 d E =-.225155E-01