iterations/neb0_image04_iter27_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 0.209005171175E+04 0.20901E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.140167108464E+03 -0.22302E+04 -0.21382E+04 2128 0.262E+02
DAV: 3 -0.466118365305E+03 -0.32595E+03 -0.32252E+03 1872 0.108E+02
DAV: 4 -0.478548453578E+03 -0.12430E+02 -0.12380E+02 1976 0.223E+01
DAV: 5 -0.478981618599E+03 -0.43317E+00 -0.43295E+00 2120 0.369E+00 0.431E+01
DAV: 6 -0.447245283512E+03 0.31736E+02 -0.14616E+02 2032 0.314E+01 0.376E+01
DAV: 7 -0.454154473769E+03 -0.69092E+01 -0.28497E+02 1904 0.139E+01 0.206E+01
DAV: 8 -0.448191119058E+03 0.59634E+01 -0.84075E+00 1800 0.768E+00 0.126E+01
DAV: 9 -0.445848632422E+03 0.23425E+01 -0.18112E+01 2048 0.116E+01 0.105E+01
DAV: 10 -0.444986206750E+03 0.86243E+00 -0.32437E+00 1896 0.348E+00 0.101E+01
DAV: 11 -0.444144141501E+03 0.84207E+00 -0.38982E+00 1984 0.271E+00 0.302E+00
DAV: 12 -0.444125417066E+03 0.18724E-01 -0.13157E+00 1960 0.216E+00 0.523E+00
DAV: 13 -0.444077344128E+03 0.48073E-01 -0.10795E+00 1792 0.105E+00 0.410E+00
DAV: 14 -0.444109217189E+03 -0.31873E-01 -0.14170E+00 1920 0.102E+00 0.434E+00
DAV: 15 -0.444069170127E+03 0.40047E-01 -0.18536E+00 2096 0.101E+00 0.366E+00
DAV: 16 -0.444039433881E+03 0.29736E-01 -0.79603E-01 1984 0.866E-01 0.234E+00
DAV: 17 -0.444031407402E+03 0.80265E-02 -0.19475E-01 1880 0.485E-01 0.182E+00
DAV: 18 -0.444022927714E+03 0.84797E-02 -0.48927E-02 1880 0.358E-01 0.574E-01
DAV: 19 -0.444041796590E+03 -0.18869E-01 -0.65468E-03 1960 0.210E-01 0.590E-01
DAV: 20 -0.444043829280E+03 -0.20327E-02 -0.10969E-02 1856 0.126E-01 0.790E-02
DAV: 21 -0.444047538295E+03 -0.37090E-02 -0.17456E-03 1944 0.861E-02 0.370E-01
DAV: 22 -0.444048761227E+03 -0.12229E-02 -0.23106E-03 1944 0.916E-02 0.117E-01
DAV: 23 -0.444051116401E+03 -0.23552E-02 -0.55026E-04 1856 0.579E-02 0.131E-01
DAV: 24 -0.444052223567E+03 -0.11072E-02 -0.55779E-04 1912 0.418E-02 0.270E-01
DAV: 25 -0.444052218504E+03 0.50629E-05 -0.10792E-03 2008 0.406E-02 0.559E-02
DAV: 26 -0.444052811621E+03 -0.59312E-03 -0.16674E-04 1912 0.271E-02 0.314E-02
DAV: 27 -0.444053032951E+03 -0.22133E-03 -0.36520E-05 1400 0.156E-02 0.524E-02
DAV: 28 -0.444053114982E+03 -0.82031E-04 -0.64790E-05 1752 0.188E-02 0.101E-02
DAV: 29 -0.444053159350E+03 -0.44367E-04 -0.10175E-05 984 0.845E-03 0.116E-02
DAV: 30 -0.444053191185E+03 -0.31835E-04 -0.59211E-06 1024 0.639E-03 0.879E-03
DAV: 31 -0.444053211728E+03 -0.20543E-04 -0.17941E-06 952 0.328E-03 0.110E-02
DAV: 32 -0.444053227706E+03 -0.15977E-04 -0.35138E-06 1008 0.447E-03 0.232E-03
DAV: 33 -0.444053235045E+03 -0.73393E-05 -0.11764E-06 936 0.249E-03
1 F= -.44405324E+03 E0= -.44402823E+03 d E =-.750122E-01