iterations/neb0_image08_iter22_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 0.210052813676E+04 0.21005E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.139730501031E+03 -0.22403E+04 -0.21509E+04 2144 0.262E+02
DAV: 3 -0.466120856960E+03 -0.32639E+03 -0.32302E+03 1864 0.108E+02
DAV: 4 -0.478600741051E+03 -0.12480E+02 -0.12431E+02 1944 0.225E+01
DAV: 5 -0.479068675843E+03 -0.46793E+00 -0.46771E+00 2176 0.382E+00 0.427E+01
DAV: 6 -0.447657116160E+03 0.31412E+02 -0.14480E+02 2008 0.312E+01 0.269E+01
DAV: 7 -0.447731367821E+03 -0.74252E-01 -0.40526E+01 1856 0.114E+01 0.134E+01
DAV: 8 -0.447064009318E+03 0.66736E+00 -0.78070E+00 2488 0.810E+00 0.992E+00
DAV: 9 -0.445872977336E+03 0.11910E+01 -0.84759E+00 2064 0.455E+00 0.581E+00
DAV: 10 -0.446339425653E+03 -0.46645E+00 -0.62791E+00 2184 0.447E+00 0.651E+00
DAV: 11 -0.445607151690E+03 0.73227E+00 -0.75766E-01 1928 0.211E+00 0.328E+00
DAV: 12 -0.445625261164E+03 -0.18109E-01 -0.16412E+00 2016 0.155E+00 0.383E+00
DAV: 13 -0.445585334286E+03 0.39927E-01 -0.12096E+00 1984 0.990E-01 0.199E+00
DAV: 14 -0.445586505522E+03 -0.11712E-02 -0.38769E-01 1904 0.554E-01 0.184E+00
DAV: 15 -0.445592814170E+03 -0.63086E-02 -0.21644E-02 1904 0.361E-01 0.192E+00
DAV: 16 -0.445574107491E+03 0.18707E-01 -0.47542E-02 2016 0.243E-01 0.733E-01
DAV: 17 -0.445578055324E+03 -0.39478E-02 -0.27617E-02 2088 0.216E-01 0.489E-01
DAV: 18 -0.445579957349E+03 -0.19020E-02 -0.38188E-03 1808 0.128E-01 0.103E-01
DAV: 19 -0.445581718027E+03 -0.17607E-02 -0.17853E-03 1888 0.910E-02 0.127E-01
DAV: 20 -0.445583442986E+03 -0.17250E-02 -0.72083E-04 2168 0.683E-02 0.265E-01
DAV: 21 -0.445584663337E+03 -0.12204E-02 -0.34287E-03 2304 0.108E-01 0.158E-01
DAV: 22 -0.445585770684E+03 -0.11073E-02 -0.51058E-04 1832 0.575E-02 0.305E-02
DAV: 23 -0.445586491568E+03 -0.72088E-03 -0.41836E-04 1816 0.375E-02 0.784E-02
DAV: 24 -0.445586753549E+03 -0.26198E-03 -0.45849E-05 1464 0.173E-02 0.437E-02
DAV: 25 -0.445586943129E+03 -0.18958E-03 -0.62985E-05 1768 0.213E-02 0.181E-02
DAV: 26 -0.445586987865E+03 -0.44736E-04 -0.81521E-06 960 0.818E-03 0.118E-02
DAV: 27 -0.445587060791E+03 -0.72926E-04 -0.17008E-05 1144 0.906E-03 0.863E-03
DAV: 28 -0.445587079291E+03 -0.18499E-04 -0.25292E-06 936 0.401E-03 0.377E-03
DAV: 29 -0.445587097519E+03 -0.18229E-04 -0.24935E-06 976 0.492E-03 0.904E-03
DAV: 30 -0.445587110156E+03 -0.12636E-04 -0.96279E-07 936 0.227E-03 0.105E-02
DAV: 31 -0.445587116066E+03 -0.59098E-05 -0.10667E-06 936 0.315E-03
1 F= -.44558712E+03 E0= -.44556239E+03 d E =-.741837E-01