iterations/neb0_image03_iter64_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 0.209795361359E+04 0.20980E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138723100641E+03 -0.22367E+04 -0.21460E+04 2160 0.262E+02
DAV: 3 -0.463655962770E+03 -0.32493E+03 -0.31918E+03 1896 0.108E+02
DAV: 4 -0.476804868548E+03 -0.13149E+02 -0.13103E+02 1960 0.229E+01
DAV: 5 -0.477266349926E+03 -0.46148E+00 -0.46126E+00 2112 0.380E+00 0.433E+01
DAV: 6 -0.453659148138E+03 0.23607E+02 -0.14815E+02 2024 0.319E+01 0.419E+01
DAV: 7 -0.453638287873E+03 0.20860E-01 -0.83150E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447054287884E+03 0.65840E+01 -0.97930E+00 1864 0.873E+00 0.137E+01
DAV: 9 -0.447153453231E+03 -0.99165E-01 -0.23848E+01 2032 0.111E+01 0.118E+01
DAV: 10 -0.446361123167E+03 0.79233E+00 -0.35921E+00 1824 0.344E+00 0.110E+01
DAV: 11 -0.445474095397E+03 0.88703E+00 -0.64419E-01 1960 0.206E+00 0.915E+00
DAV: 12 -0.445478311133E+03 -0.42157E-02 -0.87631E+00 2136 0.499E+00 0.117E+01
DAV: 13 -0.444385536327E+03 0.10928E+01 -0.13677E+00 2000 0.399E+00 0.556E+00
DAV: 14 -0.444195101941E+03 0.19043E+00 -0.38389E-01 1840 0.112E+00 0.203E+00
DAV: 15 -0.444186457185E+03 0.86448E-02 -0.65685E-02 1896 0.763E-01 0.100E+00
DAV: 16 -0.444222126444E+03 -0.35669E-01 -0.36498E-02 1968 0.533E-01 0.189E+00
DAV: 17 -0.444210622152E+03 0.11504E-01 -0.10999E-02 1840 0.316E-01 0.528E-01
DAV: 18 -0.444217367981E+03 -0.67458E-02 -0.35607E-03 2016 0.166E-01 0.719E-01
DAV: 19 -0.444216070007E+03 0.12980E-02 -0.44724E-03 1888 0.172E-01 0.185E-01
DAV: 20 -0.444218984588E+03 -0.29146E-02 -0.12751E-03 1920 0.958E-02 0.201E-01
DAV: 21 -0.444219492699E+03 -0.50811E-03 -0.52311E-04 1896 0.674E-02 0.164E-01
DAV: 22 -0.444220183849E+03 -0.69115E-03 -0.15588E-04 1840 0.356E-02 0.480E-02
DAV: 23 -0.444222622769E+03 -0.24389E-02 -0.70080E-04 1832 0.604E-02 0.818E-02
DAV: 24 -0.444222667306E+03 -0.44537E-04 -0.11011E-04 1888 0.238E-02 0.742E-02
DAV: 25 -0.444222899231E+03 -0.23192E-03 -0.40544E-05 1584 0.211E-02 0.297E-02
DAV: 26 -0.444223202545E+03 -0.30331E-03 -0.58566E-05 1768 0.228E-02 0.274E-02
DAV: 27 -0.444223292429E+03 -0.89884E-04 -0.16791E-05 1224 0.103E-02 0.343E-02
DAV: 28 -0.444223338970E+03 -0.46541E-04 -0.98707E-06 1200 0.847E-03 0.133E-02
DAV: 29 -0.444223369172E+03 -0.30202E-04 -0.47138E-06 976 0.665E-03 0.111E-02
DAV: 30 -0.444223398183E+03 -0.29011E-04 -0.24818E-06 1016 0.438E-03 0.433E-03
DAV: 31 -0.444223415390E+03 -0.17207E-04 -0.13817E-06 952 0.301E-03 0.889E-03
DAV: 32 -0.444223420932E+03 -0.55414E-05 -0.11879E-06 944 0.304E-03
1 F= -.44422342E+03 E0= -.44421285E+03 d E =-.317037E-01