iterations/neb0_image03_iter43_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 0.209948076945E+04 0.20995E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139824836567E+03 -0.22393E+04 -0.21505E+04 2160 0.262E+02
DAV: 3 -0.463769230982E+03 -0.32394E+03 -0.31826E+03 1920 0.107E+02
DAV: 4 -0.476635594256E+03 -0.12866E+02 -0.12822E+02 1976 0.227E+01
DAV: 5 -0.477063685203E+03 -0.42809E+00 -0.42789E+00 2120 0.370E+00 0.433E+01
DAV: 6 -0.453384582989E+03 0.23679E+02 -0.14769E+02 2008 0.318E+01 0.425E+01
DAV: 7 -0.453578876297E+03 -0.19429E+00 -0.82992E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447159900170E+03 0.64190E+01 -0.99296E+00 1840 0.825E+00 0.136E+01
DAV: 9 -0.446941400557E+03 0.21850E+00 -0.22780E+01 2024 0.106E+01 0.120E+01
DAV: 10 -0.446132248300E+03 0.80915E+00 -0.38171E+00 1808 0.338E+00 0.108E+01
DAV: 11 -0.445470864383E+03 0.66138E+00 -0.39984E-01 1960 0.189E+00 0.952E+00
DAV: 12 -0.444828447960E+03 0.64242E+00 -0.50223E+00 2048 0.455E+00 0.113E+01
DAV: 13 -0.444388268661E+03 0.44018E+00 -0.12351E+00 2032 0.378E+00 0.582E+00
DAV: 14 -0.444070559905E+03 0.31771E+00 -0.26953E-01 1808 0.115E+00 0.285E+00
DAV: 15 -0.444034216335E+03 0.36344E-01 -0.41522E-01 1904 0.841E-01 0.151E+00
DAV: 16 -0.444070295524E+03 -0.36079E-01 -0.36726E-02 1952 0.618E-01 0.593E-01
DAV: 17 -0.444090709796E+03 -0.20414E-01 -0.14772E-02 1888 0.326E-01 0.256E+00
DAV: 18 -0.444057346130E+03 0.33364E-01 -0.50508E-03 1968 0.250E-01 0.929E-01
DAV: 19 -0.444067577592E+03 -0.10231E-01 -0.65618E-03 1944 0.210E-01 0.441E-01
DAV: 20 -0.444073834526E+03 -0.62569E-02 -0.19487E-03 1752 0.110E-01 0.247E-01
DAV: 21 -0.444073963681E+03 -0.12915E-03 -0.55741E-04 2000 0.753E-02 0.170E-01
DAV: 22 -0.444075121649E+03 -0.11580E-02 -0.37516E-04 1824 0.508E-02 0.590E-02
DAV: 23 -0.444076552503E+03 -0.14309E-02 -0.23768E-04 1824 0.456E-02 0.305E-02
DAV: 24 -0.444077579956E+03 -0.10275E-02 -0.19728E-04 1840 0.274E-02 0.552E-02
DAV: 25 -0.444077915913E+03 -0.33596E-03 -0.68262E-05 1696 0.268E-02 0.426E-02
DAV: 26 -0.444078087232E+03 -0.17132E-03 -0.48346E-05 1752 0.191E-02 0.272E-02
DAV: 27 -0.444078195263E+03 -0.10803E-03 -0.24849E-05 1392 0.142E-02 0.392E-02
DAV: 28 -0.444078215083E+03 -0.19820E-04 -0.56687E-06 1056 0.625E-03 0.334E-02
DAV: 29 -0.444078254497E+03 -0.39414E-04 -0.53403E-06 1144 0.597E-03 0.423E-02
DAV: 30 -0.444078258916E+03 -0.44189E-05 -0.25528E-06 1024 0.500E-03
1 F= -.44407826E+03 E0= -.44406706E+03 d E =-.335916E-01