iterations/neb0_image02_iter42_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 0.209774508674E+04 0.20977E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138914884283E+03 -0.22367E+04 -0.21490E+04 2144 0.262E+02
DAV: 3 -0.461696814478E+03 -0.32278E+03 -0.31918E+03 1904 0.107E+02
DAV: 4 -0.475245006422E+03 -0.13548E+02 -0.13266E+02 1936 0.227E+01
DAV: 5 -0.475767887583E+03 -0.52288E+00 -0.52252E+00 2096 0.390E+00 0.435E+01
DAV: 6 -0.457153103720E+03 0.18615E+02 -0.19811E+02 2032 0.317E+01 0.411E+01
DAV: 7 -0.451920162791E+03 0.52329E+01 -0.42149E+01 1768 0.140E+01 0.220E+01
DAV: 8 -0.445154727450E+03 0.67654E+01 -0.96831E+00 1816 0.820E+00 0.105E+01
DAV: 9 -0.444721629637E+03 0.43310E+00 -0.50582E+00 1904 0.557E+00 0.868E+00
DAV: 10 -0.444221704004E+03 0.49993E+00 -0.25107E+00 1912 0.233E+00 0.278E+00
DAV: 11 -0.444236714050E+03 -0.15010E-01 -0.42471E-01 1912 0.135E+00 0.244E+00
DAV: 12 -0.444290697423E+03 -0.53983E-01 -0.85503E-01 1896 0.914E-01 0.519E+00
DAV: 13 -0.444171415710E+03 0.11928E+00 -0.29637E-01 1936 0.689E-01 0.826E-01
DAV: 14 -0.444215209613E+03 -0.43794E-01 -0.14387E-02 1952 0.326E-01 0.262E-01
DAV: 15 -0.444221156297E+03 -0.59467E-02 -0.99540E-03 2080 0.256E-01 0.387E-01
DAV: 16 -0.444222328206E+03 -0.11719E-02 -0.16081E-03 1840 0.108E-01 0.135E-01
DAV: 17 -0.444224803765E+03 -0.24756E-02 -0.10494E-03 2184 0.977E-02 0.150E-01
DAV: 18 -0.444226251407E+03 -0.14476E-02 -0.32158E-04 1864 0.445E-02 0.909E-02
DAV: 19 -0.444228165727E+03 -0.19143E-02 -0.31261E-04 1960 0.467E-02 0.337E-02
DAV: 20 -0.444229286886E+03 -0.11212E-02 -0.14396E-04 1824 0.248E-02 0.199E-02
DAV: 21 -0.444230074590E+03 -0.78770E-03 -0.13112E-04 1928 0.267E-02 0.168E-02
DAV: 22 -0.444230470606E+03 -0.39602E-03 -0.45971E-05 1576 0.165E-02 0.123E-02
DAV: 23 -0.444230652228E+03 -0.18162E-03 -0.52620E-05 1816 0.179E-02 0.191E-02
DAV: 24 -0.444230659949E+03 -0.77209E-05 -0.57773E-06 952 0.709E-03
1 F= -.44423066E+03 E0= -.44422439E+03 d E =-.188110E-01