./iterations/neb0_image05_iter12_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 0.209397136821E+04 0.20940E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.137855391622E+03 -0.22318E+04 -0.21367E+04 2136 0.262E+02
DAV: 3 -0.463171791098E+03 -0.32532E+03 -0.32042E+03 1896 0.107E+02
DAV: 4 -0.476116026839E+03 -0.12944E+02 -0.12896E+02 1952 0.227E+01
DAV: 5 -0.476576408292E+03 -0.46038E+00 -0.46012E+00 2120 0.378E+00 0.429E+01
DAV: 6 -0.449115513578E+03 0.27461E+02 -0.15106E+02 2048 0.325E+01 0.346E+01
DAV: 7 -0.450613158072E+03 -0.14976E+01 -0.17313E+02 1972 0.164E+01 0.195E+01
DAV: 8 -0.445590173129E+03 0.50230E+01 -0.10673E+01 1984 0.108E+01 0.120E+01
DAV: 9 -0.445006775116E+03 0.58340E+00 -0.24249E+01 2008 0.839E+00 0.845E+00
DAV: 10 -0.445678265680E+03 -0.67149E+00 -0.13696E+01 2016 0.589E+00 0.103E+01
DAV: 11 -0.445290408168E+03 0.38786E+00 -0.89173E-01 1840 0.172E+00 0.953E+00
DAV: 12 -0.444461395124E+03 0.82901E+00 -0.75861E-01 2320 0.201E+00 0.598E+00
DAV: 13 -0.445233829639E+03 -0.77243E+00 -0.11558E+01 2024 0.419E+00 0.110E+01
DAV: 14 -0.444404928374E+03 0.82890E+00 -0.61324E-01 1992 0.187E+00 0.552E+00
DAV: 15 -0.444255983297E+03 0.14895E+00 -0.11691E+00 2016 0.183E+00 0.203E+00
DAV: 16 -0.444251517674E+03 0.44656E-02 -0.12576E-01 1912 0.839E-01 0.109E+00
DAV: 17 -0.444243371020E+03 0.81467E-02 -0.42243E-02 1968 0.378E-01 0.606E-01
DAV: 18 -0.444242647414E+03 0.72361E-03 -0.98818E-03 2096 0.189E-01 0.451E-01
DAV: 19 -0.444243909958E+03 -0.12625E-02 -0.70560E-03 1864 0.234E-01 0.193E-01
DAV: 20 -0.444245972202E+03 -0.20622E-02 -0.42654E-03 1968 0.135E-01 0.158E-01
DAV: 21 -0.444246607388E+03 -0.63519E-03 -0.38583E-04 2064 0.432E-02 0.152E-01
DAV: 22 -0.444248064432E+03 -0.14570E-02 -0.34533E-04 1856 0.396E-02 0.950E-02
DAV: 23 -0.444249832431E+03 -0.17680E-02 -0.64641E-04 1952 0.607E-02 0.456E-02
DAV: 24 -0.444250632042E+03 -0.79961E-03 -0.32884E-04 1896 0.418E-02 0.474E-02
DAV: 25 -0.444251127547E+03 -0.49551E-03 -0.86241E-05 1864 0.217E-02 0.422E-02
DAV: 26 -0.444251481981E+03 -0.35443E-03 -0.70599E-05 1728 0.192E-02 0.250E-02
DAV: 27 -0.444251686703E+03 -0.20472E-03 -0.23701E-05 1456 0.116E-02 0.243E-02
DAV: 28 -0.444251800508E+03 -0.11380E-03 -0.20489E-05 1344 0.125E-02 0.172E-02
DAV: 29 -0.444251864763E+03 -0.64255E-04 -0.18818E-05 1368 0.101E-02 0.124E-02
DAV: 30 -0.444251880621E+03 -0.15858E-04 -0.38747E-06 960 0.587E-03 0.944E-03
DAV: 31 -0.444251890973E+03 -0.10352E-04 -0.45028E-06 1016 0.541E-03 0.442E-03
DAV: 32 -0.444251894586E+03 -0.36133E-05 -0.12520E-06 936 0.258E-03
1 F= -.44425189E+03 E0= -.44424478E+03 d E =-.213577E-01