iterations/neb0_image02_iter26_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 0.208988062053E+04 0.20899E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.141820603201E+03 -0.22317E+04 -0.21442E+04 2144 0.261E+02
DAV: 3 -0.462154543020E+03 -0.32033E+03 -0.31639E+03 1904 0.107E+02
DAV: 4 -0.475821775778E+03 -0.13667E+02 -0.13497E+02 1944 0.227E+01
DAV: 5 -0.476337691570E+03 -0.51592E+00 -0.51556E+00 2136 0.391E+00 0.434E+01
DAV: 6 -0.456262106905E+03 0.20076E+02 -0.17391E+02 2032 0.319E+01 0.409E+01
DAV: 7 -0.452445804042E+03 0.38163E+01 -0.42696E+01 1776 0.141E+01 0.220E+01
DAV: 8 -0.445410332275E+03 0.70355E+01 -0.97266E+00 1824 0.806E+00 0.127E+01
DAV: 9 -0.447659821994E+03 -0.22495E+01 -0.55588E+01 2064 0.993E+00 0.161E+01
DAV: 10 -0.446000914475E+03 0.16589E+01 -0.61703E+00 1880 0.337E+00 0.955E+00
DAV: 11 -0.445907305938E+03 0.93609E-01 -0.18484E-01 1936 0.761E-01 0.941E+00
DAV: 12 -0.445778062416E+03 0.12924E+00 -0.50894E-02 1936 0.658E-01 0.898E+00
DAV: 13 -0.445621892618E+03 0.15617E+00 -0.89721E-02 1824 0.726E-01 0.822E+00
DAV: 14 -0.445276963124E+03 0.34493E+00 -0.28994E+00 1920 0.367E+00 0.976E+00
DAV: 15 -0.444685064177E+03 0.59190E+00 -0.65415E-01 1880 0.196E+00 0.558E+00
DAV: 16 -0.444687827293E+03 -0.27631E-02 -0.85787E-02 1896 0.575E-01 0.539E+00
DAV: 17 -0.444676824974E+03 0.11002E-01 -0.23453E-03 2232 0.122E-01 0.534E+00
DAV: 18 -0.444426789649E+03 0.25004E+00 -0.45274E-02 2504 0.121E+00 0.382E+00
DAV: 19 -0.444336172209E+03 0.90617E-01 -0.11208E-01 1880 0.752E-01 0.240E+00
DAV: 20 -0.444310943906E+03 0.25228E-01 -0.29969E-02 1928 0.394E-01 0.183E+00
DAV: 21 -0.444290156413E+03 0.20787E-01 -0.41216E-02 1904 0.574E-01 0.120E+00
DAV: 22 -0.444283968501E+03 0.61879E-02 -0.27942E-02 1832 0.431E-01 0.608E-01
DAV: 23 -0.444286952197E+03 -0.29837E-02 -0.53541E-03 1904 0.194E-01 0.567E-01
DAV: 24 -0.444287854317E+03 -0.90212E-03 -0.26963E-03 1856 0.156E-01 0.531E-01
DAV: 25 -0.444290910513E+03 -0.30562E-02 -0.42450E-03 1880 0.162E-01 0.617E-01
DAV: 26 -0.444289451041E+03 0.14595E-02 -0.18133E-03 2128 0.132E-01 0.525E-01
DAV: 27 -0.444289700861E+03 -0.24982E-03 -0.12110E-03 1816 0.821E-02 0.434E-01
DAV: 28 -0.444290360108E+03 -0.65925E-03 -0.12159E-04 1824 0.280E-02 0.421E-01
DAV: 29 -0.444290628713E+03 -0.26861E-03 -0.76095E-05 1792 0.267E-02 0.392E-01
DAV: 30 -0.444290571923E+03 0.56790E-04 -0.34934E-04 1848 0.506E-02 0.331E-01
DAV: 31 -0.444290359273E+03 0.21265E-03 -0.11457E-04 1848 0.260E-02 0.298E-01
DAV: 32 -0.444290306893E+03 0.52380E-04 -0.78219E-05 1736 0.208E-02 0.273E-01
DAV: 33 -0.444290299833E+03 0.70607E-05 -0.72079E-06 952 0.738E-03
1 F= -.44429030E+03 E0= -.44428393E+03 d E =-.191205E-01