iterations/neb0_image02_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 0.208855515246E+04 0.20886E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.141601967358E+03 -0.22302E+04 -0.21424E+04 2144 0.261E+02
DAV: 3 -0.462966607743E+03 -0.32136E+03 -0.31629E+03 1928 0.107E+02
DAV: 4 -0.476269162943E+03 -0.13303E+02 -0.13250E+02 1944 0.228E+01
DAV: 5 -0.476720657567E+03 -0.45149E+00 -0.45121E+00 2124 0.375E+00 0.433E+01
DAV: 6 -0.455122372174E+03 0.21598E+02 -0.14945E+02 2040 0.322E+01 0.407E+01
DAV: 7 -0.452860091719E+03 0.22623E+01 -0.42633E+01 1776 0.143E+01 0.219E+01
DAV: 8 -0.445917566874E+03 0.69425E+01 -0.96740E+00 1816 0.827E+00 0.131E+01
DAV: 9 -0.448030090685E+03 -0.21125E+01 -0.36236E+01 2056 0.108E+01 0.201E+01
DAV: 10 -0.445704366046E+03 0.23257E+01 -0.19954E+01 1856 0.381E+00 0.102E+01
DAV: 11 -0.445577262649E+03 0.12710E+00 -0.28206E-01 1944 0.957E-01 0.977E+00
DAV: 12 -0.445406016585E+03 0.17125E+00 -0.10195E-01 1936 0.875E-01 0.888E+00
DAV: 13 -0.445858949844E+03 -0.45293E+00 -0.21562E+00 1952 0.338E+00 0.157E+01
DAV: 14 -0.445050035114E+03 0.80891E+00 -0.50280E+00 1960 0.174E+00 0.660E+00
DAV: 15 -0.444610392892E+03 0.43964E+00 -0.58990E-01 2056 0.167E+00 0.456E+00
DAV: 16 -0.444470773556E+03 0.13962E+00 -0.13501E-01 1888 0.799E-01 0.402E+00
DAV: 17 -0.444401432037E+03 0.69342E-01 -0.10162E-02 2000 0.324E-01 0.363E+00
DAV: 18 -0.444278691017E+03 0.12274E+00 -0.19398E+00 2312 0.151E+00 0.625E+00
DAV: 19 -0.444110217367E+03 0.16847E+00 -0.24741E-01 1800 0.506E-01 0.253E+00
DAV: 20 -0.444146884131E+03 -0.36667E-01 -0.78755E-03 1872 0.209E-01 0.202E+00
DAV: 21 -0.444160593522E+03 -0.13709E-01 -0.51282E-03 1864 0.213E-01 0.192E+00
DAV: 22 -0.444180034614E+03 -0.19441E-01 -0.33050E-02 1872 0.542E-01 0.196E+00
DAV: 23 -0.444164144396E+03 0.15890E-01 -0.14236E-02 1832 0.276E-01 0.113E+00
DAV: 24 -0.444169191081E+03 -0.50467E-02 -0.14726E-03 1888 0.870E-02 0.946E-01
DAV: 25 -0.444168623174E+03 0.56791E-03 -0.54219E-04 2136 0.909E-02 0.320E-01
DAV: 26 -0.444172350856E+03 -0.37277E-02 -0.11951E-03 1856 0.975E-02 0.137E-01
DAV: 27 -0.444174303442E+03 -0.19526E-02 -0.44341E-04 1872 0.556E-02 0.156E-01
DAV: 28 -0.444175128492E+03 -0.82505E-03 -0.24915E-04 1888 0.411E-02 0.894E-02
DAV: 29 -0.444175546102E+03 -0.41761E-03 -0.13847E-04 1984 0.293E-02 0.116E-01
DAV: 30 -0.444175776329E+03 -0.23023E-03 -0.12765E-04 1864 0.288E-02 0.787E-02
DAV: 31 -0.444175897889E+03 -0.12156E-03 -0.26455E-05 1432 0.222E-02 0.389E-02
DAV: 32 -0.444176059865E+03 -0.16198E-03 -0.40059E-05 1672 0.170E-02 0.870E-02
DAV: 33 -0.444176060790E+03 -0.92537E-06 -0.19400E-05 1424 0.157E-02
1 F= -.44417606E+03 E0= -.44416887E+03 d E =-.215756E-01