iterations/neb0_image07_iter55_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 0.210109972776E+04 0.21011E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.137870680176E+03 -0.22390E+04 -0.21463E+04 2144 0.262E+02
DAV: 3 -0.464004475594E+03 -0.32613E+03 -0.32119E+03 1848 0.108E+02
DAV: 4 -0.477299588887E+03 -0.13295E+02 -0.13248E+02 1992 0.230E+01
DAV: 5 -0.477753525432E+03 -0.45394E+00 -0.45370E+00 2088 0.377E+00 0.428E+01
DAV: 6 -0.448645710015E+03 0.29108E+02 -0.14763E+02 2064 0.319E+01 0.271E+01
DAV: 7 -0.445889232542E+03 0.27565E+01 -0.26240E+01 1880 0.118E+01 0.126E+01
DAV: 8 -0.445790210794E+03 0.99022E-01 -0.74870E+00 1976 0.635E+00 0.911E+00
DAV: 9 -0.447068407218E+03 -0.12782E+01 -0.21495E+01 2504 0.739E+00 0.694E+00
DAV: 10 -0.446462651628E+03 0.60576E+00 -0.14646E+00 1832 0.243E+00 0.601E+00
DAV: 11 -0.445868368696E+03 0.59428E+00 -0.55135E-01 2272 0.227E+00 0.454E+00
DAV: 12 -0.445371500736E+03 0.49687E+00 -0.13245E+00 2176 0.251E+00 0.996E-01
DAV: 13 -0.445398103306E+03 -0.26603E-01 -0.18634E-01 1872 0.899E-01 0.820E-01
DAV: 14 -0.445398105291E+03 -0.19855E-05 -0.10944E-02 2016 0.236E-01 0.647E-01
DAV: 15 -0.445414196497E+03 -0.16091E-01 -0.27284E-02 2336 0.476E-01 0.115E+00
DAV: 16 -0.445400890194E+03 0.13306E-01 -0.13313E-02 1864 0.469E-01 0.235E-01
DAV: 17 -0.445403086784E+03 -0.21966E-02 -0.54480E-03 1816 0.143E-01 0.204E-01
DAV: 18 -0.445403960499E+03 -0.87372E-03 -0.62795E-04 1888 0.563E-02 0.149E-01
DAV: 19 -0.445406254395E+03 -0.22939E-02 -0.44782E-04 1904 0.647E-02 0.804E-02
DAV: 20 -0.445408351941E+03 -0.20975E-02 -0.51117E-04 1864 0.646E-02 0.114E-01
DAV: 21 -0.445409019349E+03 -0.66741E-03 -0.19752E-04 1896 0.566E-02 0.122E-01
DAV: 22 -0.445409656481E+03 -0.63713E-03 -0.17631E-04 1816 0.319E-02 0.663E-02
DAV: 23 -0.445410098657E+03 -0.44218E-03 -0.13260E-04 1816 0.316E-02 0.434E-02
DAV: 24 -0.445410373887E+03 -0.27523E-03 -0.11003E-04 1856 0.250E-02 0.583E-02
DAV: 25 -0.445410428214E+03 -0.54327E-04 -0.22684E-05 1296 0.151E-02 0.352E-02
DAV: 26 -0.445410462018E+03 -0.33803E-04 -0.13585E-05 1152 0.113E-02 0.781E-03
DAV: 27 -0.445410491032E+03 -0.29014E-04 -0.58958E-06 968 0.616E-03 0.707E-03
DAV: 28 -0.445410513644E+03 -0.22612E-04 -0.27232E-06 1016 0.424E-03 0.410E-03
DAV: 29 -0.445410524865E+03 -0.11221E-04 -0.11479E-06 944 0.278E-03 0.155E-03
DAV: 30 -0.445410534836E+03 -0.99701E-05 -0.78698E-07 968 0.214E-03
1 F= -.44541053E+03 E0= -.44539836E+03 d E =-.365172E-01