iterations/neb0_image04_iter17_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 0.208863467423E+04 0.20886E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140585018434E+03 -0.22292E+04 -0.21372E+04 2152 0.261E+02
DAV: 3 -0.465283474504E+03 -0.32470E+03 -0.32122E+03 1888 0.107E+02
DAV: 4 -0.477532309212E+03 -0.12249E+02 -0.12203E+02 1952 0.223E+01
DAV: 5 -0.477997813846E+03 -0.46550E+00 -0.46528E+00 2144 0.377E+00 0.428E+01
DAV: 6 -0.447749639854E+03 0.30248E+02 -0.14652E+02 2040 0.318E+01 0.367E+01
DAV: 7 -0.453031606780E+03 -0.52820E+01 -0.15683E+02 1864 0.149E+01 0.203E+01
DAV: 8 -0.446836357456E+03 0.61952E+01 -0.90133E+00 1792 0.893E+00 0.125E+01
DAV: 9 -0.446719458931E+03 0.11690E+00 -0.27675E+01 1992 0.142E+01 0.200E+01
DAV: 10 -0.444639087857E+03 0.20804E+01 -0.26577E+01 1872 0.455E+00 0.897E+00
DAV: 11 -0.444257378613E+03 0.38171E+00 -0.66550E-01 2016 0.155E+00 0.839E+00
DAV: 12 -0.443961941587E+03 0.29544E+00 -0.36674E-01 1992 0.134E+00 0.515E+00
DAV: 13 -0.444192427203E+03 -0.23049E+00 -0.59365E+00 2120 0.197E+00 0.126E+01
DAV: 14 -0.443581073417E+03 0.61135E+00 -0.13990E+00 2040 0.129E+00 0.522E+00
DAV: 15 -0.443757017210E+03 -0.17594E+00 -0.24270E-01 1904 0.110E+00 0.825E+00
DAV: 16 -0.443706875047E+03 0.50142E-01 -0.71232E+00 2176 0.157E+00 0.355E+00
DAV: 17 -0.443757715070E+03 -0.50840E-01 -0.89914E-02 1864 0.713E-01 0.370E+00
DAV: 18 -0.443694971083E+03 0.62744E-01 -0.78523E-01 2104 0.784E-01 0.394E+00
DAV: 19 -0.443654926027E+03 0.40045E-01 -0.33327E-01 1864 0.462E-01 0.525E-01
DAV: 20 -0.443694407289E+03 -0.39481E-01 -0.21720E-02 2120 0.272E-01 0.131E+00
DAV: 21 -0.443688146931E+03 0.62604E-02 -0.17190E-02 1872 0.200E-01 0.108E+00
DAV: 22 -0.443687217522E+03 0.92941E-03 -0.22987E-02 2112 0.150E-01 0.508E-01
DAV: 23 -0.443697073225E+03 -0.98557E-02 -0.62470E-03 2096 0.146E-01 0.642E-01
DAV: 24 -0.443696438651E+03 0.63457E-03 -0.44474E-03 1840 0.961E-02 0.334E-01
DAV: 25 -0.443699859286E+03 -0.34206E-02 -0.96425E-04 1792 0.598E-02 0.128E-01
DAV: 26 -0.443700669280E+03 -0.80999E-03 -0.14578E-04 1864 0.293E-02 0.140E-01
DAV: 27 -0.443701717914E+03 -0.10486E-02 -0.65653E-04 1896 0.401E-02 0.139E-01
DAV: 28 -0.443701926182E+03 -0.20827E-03 -0.78269E-05 1568 0.238E-02 0.155E-01
DAV: 29 -0.443701906684E+03 0.19498E-04 -0.95964E-05 1768 0.240E-02 0.909E-02
DAV: 30 -0.443702119803E+03 -0.21312E-03 -0.86045E-05 1368 0.138E-02 0.486E-02
DAV: 31 -0.443702241693E+03 -0.12189E-03 -0.16639E-05 1168 0.835E-03 0.164E-02
DAV: 32 -0.443702312750E+03 -0.71057E-04 -0.11881E-05 1128 0.559E-03 0.287E-02
DAV: 33 -0.443702330055E+03 -0.17305E-04 -0.32233E-06 960 0.574E-03 0.188E-02
DAV: 34 -0.443702340513E+03 -0.10458E-04 -0.15131E-06 992 0.277E-03 0.180E-02
DAV: 35 -0.443702345355E+03 -0.48419E-05 -0.41027E-07 944 0.194E-03
1 F= -.44370235E+03 E0= -.44367637E+03 d E =-.779398E-01