iterations/neb0_image03_iter38_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 0.209859158868E+04 0.20986E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138970529758E+03 -0.22376E+04 -0.21478E+04 2160 0.262E+02
DAV: 3 -0.464019967787E+03 -0.32505E+03 -0.31959E+03 1896 0.107E+02
DAV: 4 -0.477083303625E+03 -0.13063E+02 -0.13014E+02 1960 0.228E+01
DAV: 5 -0.477549063441E+03 -0.46576E+00 -0.46554E+00 2128 0.381E+00 0.432E+01
DAV: 6 -0.452621575491E+03 0.24927E+02 -0.14729E+02 2032 0.318E+01 0.420E+01
DAV: 7 -0.453980597767E+03 -0.13590E+01 -0.12892E+02 1784 0.146E+01 0.219E+01
DAV: 8 -0.447519535761E+03 0.64611E+01 -0.97046E+00 1832 0.874E+00 0.137E+01
DAV: 9 -0.446856087639E+03 0.66345E+00 -0.15630E+01 2016 0.114E+01 0.120E+01
DAV: 10 -0.446046017310E+03 0.81007E+00 -0.40368E+00 1832 0.357E+00 0.108E+01
DAV: 11 -0.445480227616E+03 0.56579E+00 -0.36392E-01 1952 0.189E+00 0.959E+00
DAV: 12 -0.444392465730E+03 0.10878E+01 -0.25314E+00 2016 0.422E+00 0.101E+01
DAV: 13 -0.444576915179E+03 -0.18445E+00 -0.12184E+01 1976 0.354E+00 0.592E+00
DAV: 14 -0.444139419336E+03 0.43750E+00 -0.26918E-01 1840 0.130E+00 0.275E+00
DAV: 15 -0.444130101158E+03 0.93182E-02 -0.58271E-01 1920 0.903E-01 0.367E+00
DAV: 16 -0.444124705827E+03 0.53953E-02 -0.11479E-01 1968 0.608E-01 0.136E+00
DAV: 17 -0.444142307777E+03 -0.17602E-01 -0.13705E-02 1840 0.359E-01 0.213E+00
DAV: 18 -0.444121059806E+03 0.21248E-01 -0.47346E-03 1840 0.238E-01 0.698E-01
DAV: 19 -0.444135270617E+03 -0.14211E-01 -0.92084E-03 2016 0.233E-01 0.102E+00
DAV: 20 -0.444131764472E+03 0.35061E-02 -0.24042E-03 1832 0.142E-01 0.159E-01
DAV: 21 -0.444134997745E+03 -0.32333E-02 -0.11580E-03 1904 0.762E-02 0.115E-01
DAV: 22 -0.444136547994E+03 -0.15502E-02 -0.16857E-04 1832 0.382E-02 0.339E-02
DAV: 23 -0.444138004013E+03 -0.14560E-02 -0.32248E-04 1888 0.451E-02 0.138E-01
DAV: 24 -0.444138361237E+03 -0.35722E-03 -0.87878E-05 1856 0.252E-02 0.441E-02
DAV: 25 -0.444138795662E+03 -0.43442E-03 -0.65901E-05 1728 0.243E-02 0.410E-02
DAV: 26 -0.444138921144E+03 -0.12548E-03 -0.25551E-05 1440 0.130E-02 0.100E-01
DAV: 27 -0.444138968116E+03 -0.46973E-04 -0.22819E-05 1344 0.120E-02 0.278E-02
DAV: 28 -0.444139069157E+03 -0.10104E-03 -0.14232E-05 1368 0.908E-03 0.480E-03
DAV: 29 -0.444139091148E+03 -0.21991E-04 -0.21236E-06 936 0.366E-03 0.589E-03
DAV: 30 -0.444139110394E+03 -0.19247E-04 -0.14393E-06 952 0.439E-03 0.160E-02
DAV: 31 -0.444139124134E+03 -0.13739E-04 -0.13531E-06 944 0.317E-03 0.612E-03
DAV: 32 -0.444139136399E+03 -0.12266E-04 -0.68020E-07 968 0.282E-03 0.229E-03
DAV: 33 -0.444139143077E+03 -0.66780E-05 -0.13333E-06 928 0.315E-03
1 F= -.44413914E+03 E0= -.44412667E+03 d E =-.374075E-01