iterations/neb0_image03_iter49_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 0.209870047151E+04 0.20987E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139159046357E+03 -0.22379E+04 -0.21481E+04 2160 0.262E+02
DAV: 3 -0.464048743821E+03 -0.32489E+03 -0.31937E+03 1920 0.107E+02
DAV: 4 -0.476950182596E+03 -0.12901E+02 -0.12856E+02 1944 0.227E+01
DAV: 5 -0.477403086504E+03 -0.45290E+00 -0.45267E+00 2120 0.376E+00 0.432E+01
DAV: 6 -0.453077864481E+03 0.24325E+02 -0.14749E+02 2032 0.318E+01 0.423E+01
DAV: 7 -0.453865438525E+03 -0.78757E+00 -0.83548E+01 1800 0.145E+01 0.219E+01
DAV: 8 -0.447427822460E+03 0.64376E+01 -0.97455E+00 1872 0.850E+00 0.137E+01
DAV: 9 -0.446969997671E+03 0.45782E+00 -0.20130E+01 2008 0.110E+01 0.120E+01
DAV: 10 -0.446137511581E+03 0.83249E+00 -0.38205E+00 1832 0.346E+00 0.108E+01
DAV: 11 -0.445565959066E+03 0.57155E+00 -0.36062E-01 1928 0.189E+00 0.955E+00
DAV: 12 -0.444365707652E+03 0.12003E+01 -0.23916E+00 2032 0.404E+00 0.905E+00
DAV: 13 -0.444554568784E+03 -0.18886E+00 -0.96417E+00 1928 0.324E+00 0.575E+00
DAV: 14 -0.444169653309E+03 0.38492E+00 -0.24341E-01 1832 0.121E+00 0.250E+00
DAV: 15 -0.444157849716E+03 0.11804E-01 -0.32386E-01 1904 0.789E-01 0.243E+00
DAV: 16 -0.444172216262E+03 -0.14367E-01 -0.37218E-02 2008 0.479E-01 0.820E-01
DAV: 17 -0.444194975476E+03 -0.22759E-01 -0.91629E-03 1848 0.306E-01 0.255E+00
DAV: 18 -0.444159772931E+03 0.35203E-01 -0.60254E-03 1888 0.296E-01 0.272E-01
DAV: 19 -0.444180606667E+03 -0.20834E-01 -0.62731E-03 1880 0.179E-01 0.817E-01
DAV: 20 -0.444177059280E+03 0.35474E-02 -0.13666E-03 1824 0.114E-01 0.150E-01
DAV: 21 -0.444180437403E+03 -0.33781E-02 -0.13235E-03 1872 0.955E-02 0.392E-01
DAV: 22 -0.444180774645E+03 -0.33724E-03 -0.48338E-04 1912 0.704E-02 0.866E-02
DAV: 23 -0.444182717085E+03 -0.19424E-02 -0.36025E-04 1800 0.444E-02 0.841E-02
DAV: 24 -0.444183298566E+03 -0.58148E-03 -0.10384E-04 1816 0.230E-02 0.462E-02
DAV: 25 -0.444183617099E+03 -0.31853E-03 -0.40057E-05 1576 0.188E-02 0.476E-02
DAV: 26 -0.444183809311E+03 -0.19221E-03 -0.40847E-05 1656 0.154E-02 0.216E-02
DAV: 27 -0.444183873361E+03 -0.64051E-04 -0.48628E-06 1136 0.675E-03 0.256E-02
DAV: 28 -0.444183917735E+03 -0.44374E-04 -0.92073E-06 1240 0.865E-03 0.528E-03
DAV: 29 -0.444183934247E+03 -0.16512E-04 -0.17774E-06 936 0.391E-03 0.302E-03
DAV: 30 -0.444183958207E+03 -0.23959E-04 -0.26782E-06 984 0.552E-03 0.125E-02
DAV: 31 -0.444183967427E+03 -0.92207E-05 -0.80371E-07 936 0.283E-03
1 F= -.44418397E+03 E0= -.44417220E+03 d E =-.352934E-01