iterations/neb0_image02_iter36_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 0.209718962321E+04 0.20972E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139752841186E+03 -0.22369E+04 -0.21496E+04 2152 0.262E+02
DAV: 3 -0.462017033703E+03 -0.32226E+03 -0.31847E+03 1896 0.107E+02
DAV: 4 -0.475709078067E+03 -0.13692E+02 -0.13502E+02 1944 0.227E+01
DAV: 5 -0.476215782171E+03 -0.50670E+00 -0.50631E+00 2136 0.387E+00 0.434E+01
DAV: 6 -0.456535361966E+03 0.19680E+02 -0.19438E+02 2040 0.318E+01 0.409E+01
DAV: 7 -0.452317559831E+03 0.42178E+01 -0.42796E+01 1776 0.142E+01 0.219E+01
DAV: 8 -0.445353925356E+03 0.69636E+01 -0.98486E+00 1808 0.791E+00 0.114E+01
DAV: 9 -0.446400217396E+03 -0.10463E+01 -0.39780E+01 1976 0.835E+00 0.101E+01
DAV: 10 -0.445718437683E+03 0.68178E+00 -0.16617E+00 1856 0.251E+00 0.856E+00
DAV: 11 -0.444578154212E+03 0.11403E+01 -0.12881E+00 2064 0.295E+00 0.513E+00
DAV: 12 -0.446815043866E+03 -0.22369E+01 -0.26119E+01 2008 0.382E+00 0.151E+01
DAV: 13 -0.444137429442E+03 0.26776E+01 -0.11906E+00 2008 0.353E+00 0.159E+00
DAV: 14 -0.444334703678E+03 -0.19727E+00 -0.38189E-01 1952 0.111E+00 0.143E+00
DAV: 15 -0.444331393198E+03 0.33105E-02 -0.14431E-02 1984 0.306E-01 0.758E-01
DAV: 16 -0.444328962600E+03 0.24306E-02 -0.32801E-02 2280 0.326E-01 0.284E-01
DAV: 17 -0.444337622193E+03 -0.86596E-02 -0.12831E-02 2040 0.349E-01 0.461E-01
DAV: 18 -0.444336905839E+03 0.71635E-03 -0.44061E-03 2120 0.211E-01 0.142E-01
DAV: 19 -0.444337812986E+03 -0.90715E-03 -0.23227E-03 1960 0.114E-01 0.878E-02
DAV: 20 -0.444338575176E+03 -0.76219E-03 -0.30458E-04 1968 0.490E-02 0.507E-02
DAV: 21 -0.444340151262E+03 -0.15761E-02 -0.23815E-04 1880 0.371E-02 0.278E-02
DAV: 22 -0.444341041349E+03 -0.89009E-03 -0.13148E-04 1880 0.325E-02 0.107E-01
DAV: 23 -0.444341232080E+03 -0.19073E-03 -0.10414E-04 1928 0.334E-02 0.278E-02
DAV: 24 -0.444341505066E+03 -0.27299E-03 -0.58444E-05 1816 0.171E-02 0.200E-02
DAV: 25 -0.444341906381E+03 -0.40131E-03 -0.10274E-04 1968 0.288E-02 0.125E-02
DAV: 26 -0.444342199495E+03 -0.29311E-03 -0.38555E-05 1648 0.164E-02 0.149E-02
DAV: 27 -0.444342284500E+03 -0.85005E-04 -0.16857E-05 1336 0.774E-03 0.114E-02
DAV: 28 -0.444342318389E+03 -0.33889E-04 -0.27423E-06 1064 0.525E-03 0.273E-03
DAV: 29 -0.444342346391E+03 -0.28002E-04 -0.28622E-06 1040 0.411E-03 0.407E-03
DAV: 30 -0.444342359602E+03 -0.13211E-04 -0.84438E-07 952 0.251E-03 0.316E-03
DAV: 31 -0.444342369343E+03 -0.97404E-05 -0.10002E-06 976 0.254E-03
1 F= -.44434237E+03 E0= -.44433616E+03 d E =-.186205E-01