iterations/neb0_image01_iter3_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 0.209035842301E+04 0.20904E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140785574613E+03 -0.22311E+04 -0.21435E+04 2144 0.261E+02
DAV: 3 -0.461395221960E+03 -0.32061E+03 -0.31715E+03 1872 0.107E+02
DAV: 4 -0.474776996345E+03 -0.13382E+02 -0.13161E+02 1976 0.228E+01
DAV: 5 -0.475313411417E+03 -0.53642E+00 -0.53290E+00 2120 0.390E+00 0.429E+01
DAV: 6 -0.449072911281E+03 0.26241E+02 -0.20222E+02 2024 0.306E+01 0.376E+01
DAV: 7 -0.454403815841E+03 -0.53309E+01 -0.24027E+02 1832 0.142E+01 0.228E+01
DAV: 8 -0.446133983880E+03 0.82698E+01 -0.10021E+01 1864 0.799E+00 0.141E+01
DAV: 9 -0.448728156882E+03 -0.25942E+01 -0.49528E+01 2104 0.114E+01 0.227E+01
DAV: 10 -0.445874665364E+03 0.28535E+01 -0.41193E+01 1888 0.421E+00 0.995E+00
DAV: 11 -0.445668386436E+03 0.20628E+00 -0.39270E-01 1944 0.115E+00 0.934E+00
DAV: 12 -0.445250587706E+03 0.41780E+00 -0.38954E-01 1928 0.158E+00 0.731E+00
DAV: 13 -0.444994258389E+03 0.25633E+00 -0.56479E-01 1920 0.186E+00 0.441E+00
DAV: 14 -0.444795726543E+03 0.19853E+00 -0.33917E-01 1928 0.140E+00 0.391E+00
DAV: 15 -0.444573483679E+03 0.22224E+00 -0.10394E-01 1936 0.100E+00 0.317E+00
DAV: 16 -0.444490447144E+03 0.83037E-01 -0.47660E-02 1960 0.549E-01 0.280E+00
DAV: 17 -0.444350712533E+03 0.13973E+00 -0.33110E-02 2424 0.846E-01 0.169E+00
DAV: 18 -0.444328947634E+03 0.21765E-01 -0.33010E-02 1912 0.420E-01 0.102E+00
DAV: 19 -0.444322663002E+03 0.62846E-02 -0.24709E-01 2376 0.690E-01 0.157E+00
DAV: 20 -0.444308015614E+03 0.14647E-01 -0.16548E-02 1880 0.258E-01 0.823E-01
DAV: 21 -0.444312394687E+03 -0.43791E-02 -0.16423E-03 2064 0.879E-02 0.758E-01
DAV: 22 -0.444311625996E+03 0.76869E-03 -0.12853E-03 2248 0.136E-01 0.230E-01
DAV: 23 -0.444314937667E+03 -0.33117E-02 -0.24069E-03 1928 0.102E-01 0.415E-01
DAV: 24 -0.444313727202E+03 0.12105E-02 -0.59175E-04 1912 0.559E-02 0.291E-01
DAV: 25 -0.444313820784E+03 -0.93582E-04 -0.15594E-04 1832 0.303E-02 0.167E-01
DAV: 26 -0.444315100146E+03 -0.12794E-02 -0.36017E-04 1976 0.528E-02 0.133E-01
DAV: 27 -0.444315802486E+03 -0.70234E-03 -0.21810E-04 1792 0.384E-02 0.608E-02
DAV: 28 -0.444315958657E+03 -0.15617E-03 -0.35304E-05 1480 0.136E-02 0.572E-02
DAV: 29 -0.444316097286E+03 -0.13863E-03 -0.53883E-05 1808 0.192E-02 0.478E-02
DAV: 30 -0.444316224870E+03 -0.12758E-03 -0.14836E-05 1360 0.858E-03 0.733E-02
DAV: 31 -0.444316240222E+03 -0.15352E-04 -0.10887E-05 1216 0.879E-03 0.303E-02
DAV: 32 -0.444316295500E+03 -0.55278E-04 -0.36887E-06 1064 0.447E-03 0.337E-02
DAV: 33 -0.444316316367E+03 -0.20868E-04 -0.27087E-06 1112 0.691E-03 0.577E-03
DAV: 34 -0.444316331798E+03 -0.15431E-04 -0.27475E-06 928 0.399E-03 0.975E-03
DAV: 35 -0.444316335409E+03 -0.36107E-05 -0.73715E-07 912 0.203E-03
1 F= -.44431634E+03 E0= -.44430928E+03 d E =-.211710E-01