iterations/neb0_image03_iter72_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 0.209836897549E+04 0.20984E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138705680736E+03 -0.22371E+04 -0.21463E+04 2160 0.262E+02
DAV: 3 -0.463446143945E+03 -0.32474E+03 -0.31929E+03 1920 0.108E+02
DAV: 4 -0.476588790757E+03 -0.13143E+02 -0.13098E+02 1952 0.228E+01
DAV: 5 -0.477039913800E+03 -0.45112E+00 -0.45092E+00 2136 0.377E+00 0.433E+01
DAV: 6 -0.454065470373E+03 0.22974E+02 -0.14886E+02 2048 0.319E+01 0.417E+01
DAV: 7 -0.453432714414E+03 0.63276E+00 -0.81433E+01 1792 0.144E+01 0.219E+01
DAV: 8 -0.446776926957E+03 0.66558E+01 -0.98542E+00 1848 0.864E+00 0.136E+01
DAV: 9 -0.447288612844E+03 -0.51169E+00 -0.29007E+01 2024 0.112E+01 0.119E+01
DAV: 10 -0.446478565001E+03 0.81005E+00 -0.32267E+00 1824 0.339E+00 0.109E+01
DAV: 11 -0.445519573211E+03 0.95899E+00 -0.65410E-01 1936 0.212E+00 0.899E+00
DAV: 12 -0.445321392333E+03 0.19818E+00 -0.44272E+00 2072 0.493E+00 0.119E+01
DAV: 13 -0.444422474632E+03 0.89892E+00 -0.12688E+00 1992 0.381E+00 0.527E+00
DAV: 14 -0.444253199101E+03 0.16928E+00 -0.25635E-01 1856 0.104E+00 0.325E+00
DAV: 15 -0.444210434073E+03 0.42765E-01 -0.81335E-01 1912 0.883E-01 0.253E+00
DAV: 16 -0.444256270336E+03 -0.45836E-01 -0.17587E-01 2024 0.821E-01 0.224E+00
DAV: 17 -0.444215585177E+03 0.40685E-01 -0.14935E-01 1824 0.378E-01 0.387E-01
DAV: 18 -0.444229023913E+03 -0.13439E-01 -0.63368E-03 1976 0.163E-01 0.241E-01
DAV: 19 -0.444232742981E+03 -0.37191E-02 -0.19783E-03 1992 0.127E-01 0.177E-01
DAV: 20 -0.444233244547E+03 -0.50157E-03 -0.72759E-04 1904 0.697E-02 0.115E-01
DAV: 21 -0.444234900532E+03 -0.16560E-02 -0.56439E-04 1880 0.587E-02 0.181E-01
DAV: 22 -0.444235844186E+03 -0.94365E-03 -0.26342E-04 1792 0.494E-02 0.222E-01
DAV: 23 -0.444236412666E+03 -0.56848E-03 -0.17364E-04 1848 0.318E-02 0.264E-01
DAV: 24 -0.444236782181E+03 -0.36952E-03 -0.25786E-04 1696 0.460E-02 0.513E-02
DAV: 25 -0.444237610855E+03 -0.82867E-03 -0.11253E-04 1768 0.254E-02 0.777E-02
DAV: 26 -0.444237711428E+03 -0.10057E-03 -0.19557E-05 1320 0.118E-02 0.738E-02
DAV: 27 -0.444237798590E+03 -0.87162E-04 -0.16959E-05 1344 0.997E-03 0.390E-02
DAV: 28 -0.444237878769E+03 -0.80179E-04 -0.53736E-06 1176 0.525E-03 0.360E-02
DAV: 29 -0.444237919082E+03 -0.40312E-04 -0.57740E-06 1208 0.597E-03 0.169E-02
DAV: 30 -0.444237940136E+03 -0.21055E-04 -0.17396E-06 936 0.337E-03 0.524E-03
DAV: 31 -0.444237955073E+03 -0.14937E-04 -0.10324E-06 952 0.268E-03 0.811E-03
DAV: 32 -0.444237967383E+03 -0.12310E-04 -0.65975E-07 952 0.198E-03 0.347E-03
DAV: 33 -0.444237972500E+03 -0.51171E-05 -0.21249E-07 944 0.905E-04
1 F= -.44423797E+03 E0= -.44422810E+03 d E =-.296285E-01