iterations/neb0_image02_iter8_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 0.208771992891E+04 0.20877E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.141151983395E+03 -0.22289E+04 -0.21409E+04 2144 0.261E+02
DAV: 3 -0.462758576681E+03 -0.32161E+03 -0.31637E+03 1928 0.107E+02
DAV: 4 -0.476051920382E+03 -0.13293E+02 -0.13239E+02 1920 0.228E+01
DAV: 5 -0.476534646327E+03 -0.48273E+00 -0.48238E+00 2136 0.383E+00 0.432E+01
DAV: 6 -0.454702426949E+03 0.21832E+02 -0.14906E+02 2056 0.319E+01 0.407E+01
DAV: 7 -0.452937755526E+03 0.17647E+01 -0.41559E+01 1792 0.141E+01 0.219E+01
DAV: 8 -0.446027255344E+03 0.69105E+01 -0.93601E+00 1840 0.844E+00 0.132E+01
DAV: 9 -0.447720597247E+03 -0.16933E+01 -0.28846E+01 2080 0.111E+01 0.175E+01
DAV: 10 -0.445907393403E+03 0.18132E+01 -0.88958E+00 1864 0.358E+00 0.103E+01
DAV: 11 -0.445792641396E+03 0.11475E+00 -0.21931E-01 1960 0.881E-01 0.100E+01
DAV: 12 -0.445271185255E+03 0.52146E+00 -0.35710E-01 1832 0.128E+00 0.800E+00
DAV: 13 -0.444757323748E+03 0.51386E+00 -0.55331E-01 1904 0.178E+00 0.515E+00
DAV: 14 -0.444433161633E+03 0.32416E+00 -0.59838E-01 1928 0.192E+00 0.443E+00
DAV: 15 -0.444237702324E+03 0.19546E+00 -0.24174E-01 1912 0.101E+00 0.308E+00
DAV: 16 -0.444199989446E+03 0.37713E-01 -0.11880E-01 1904 0.658E-01 0.242E+00
DAV: 17 -0.444140053821E+03 0.59936E-01 -0.25670E-02 1928 0.505E-01 0.133E+00
DAV: 18 -0.444109243855E+03 0.30810E-01 -0.40674E-02 2000 0.447E-01 0.593E-01
DAV: 19 -0.444106756486E+03 0.24874E-02 -0.11909E-02 1960 0.323E-01 0.653E-01
DAV: 20 -0.444106949579E+03 -0.19309E-03 -0.43666E-03 1912 0.150E-01 0.287E-01
DAV: 21 -0.444108849318E+03 -0.18997E-02 -0.13515E-03 1856 0.102E-01 0.245E-01
DAV: 22 -0.444110272753E+03 -0.14234E-02 -0.13208E-03 1872 0.898E-02 0.243E-01
DAV: 23 -0.444110288312E+03 -0.15559E-04 -0.10859E-03 1912 0.958E-02 0.910E-02
DAV: 24 -0.444111179157E+03 -0.89084E-03 -0.30612E-04 1872 0.441E-02 0.677E-02
DAV: 25 -0.444111679985E+03 -0.50083E-03 -0.10815E-04 1872 0.228E-02 0.377E-02
DAV: 26 -0.444112128965E+03 -0.44898E-03 -0.31149E-05 1440 0.155E-02 0.931E-02
DAV: 27 -0.444112370868E+03 -0.24190E-03 -0.45370E-05 1608 0.201E-02 0.184E-02
DAV: 28 -0.444112579329E+03 -0.20846E-03 -0.33967E-05 1600 0.124E-02 0.157E-02
DAV: 29 -0.444112658318E+03 -0.78989E-04 -0.12889E-05 1256 0.102E-02 0.110E-02
DAV: 30 -0.444112688531E+03 -0.30213E-04 -0.48800E-06 1072 0.608E-03 0.123E-02
DAV: 31 -0.444112702932E+03 -0.14401E-04 -0.28104E-06 968 0.428E-03 0.803E-03
DAV: 32 -0.444112717317E+03 -0.14385E-04 -0.14407E-06 984 0.283E-03 0.118E-02
DAV: 33 -0.444112720643E+03 -0.33264E-05 -0.51952E-07 936 0.193E-03
1 F= -.44411272E+03 E0= -.44410460E+03 d E =-.243471E-01