iterations/neb0_image09_iter64_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 0.209640464043E+04 0.20964E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.140752433486E+03 -0.22372E+04 -0.21459E+04 2136 0.262E+02
DAV: 3 -0.466272141658E+03 -0.32552E+03 -0.32206E+03 1848 0.108E+02
DAV: 4 -0.479192176110E+03 -0.12920E+02 -0.12867E+02 1960 0.228E+01
DAV: 5 -0.479671198257E+03 -0.47902E+00 -0.47877E+00 2128 0.384E+00 0.427E+01
DAV: 6 -0.447101903221E+03 0.32569E+02 -0.14303E+02 2024 0.308E+01 0.271E+01
DAV: 7 -0.449124330044E+03 -0.20224E+01 -0.76101E+01 1944 0.111E+01 0.137E+01
DAV: 8 -0.446216785334E+03 0.29075E+01 -0.81481E+00 2424 0.801E+00 0.829E+00
DAV: 9 -0.446762976231E+03 -0.54619E+00 -0.12853E+01 1864 0.377E+00 0.466E+00
DAV: 10 -0.446050962102E+03 0.71201E+00 -0.57495E-01 2096 0.379E+00 0.392E+00
DAV: 11 -0.446210679766E+03 -0.15972E+00 -0.34133E+00 1944 0.177E+00 0.413E+00
DAV: 12 -0.446003556683E+03 0.20712E+00 -0.94200E-01 2008 0.137E+00 0.244E+00
DAV: 13 -0.446027329983E+03 -0.23773E-01 -0.94368E-01 2008 0.841E-01 0.276E+00
DAV: 14 -0.445978409700E+03 0.48920E-01 -0.34528E-01 1920 0.566E-01 0.606E-01
DAV: 15 -0.445983726382E+03 -0.53167E-02 -0.10071E-02 1904 0.236E-01 0.318E-01
DAV: 16 -0.445985313898E+03 -0.15875E-02 -0.68201E-03 1880 0.132E-01 0.224E-01
DAV: 17 -0.445987186930E+03 -0.18730E-02 -0.11821E-03 1912 0.781E-02 0.917E-02
DAV: 18 -0.445990306793E+03 -0.31199E-02 -0.16490E-03 1984 0.684E-02 0.266E-01
DAV: 19 -0.445992153198E+03 -0.18464E-02 -0.60926E-03 2064 0.841E-02 0.298E-01
DAV: 20 -0.445993009737E+03 -0.85654E-03 -0.75472E-04 1784 0.460E-02 0.615E-02
DAV: 21 -0.445993907337E+03 -0.89760E-03 -0.33217E-04 1808 0.377E-02 0.200E-02
DAV: 22 -0.445994272145E+03 -0.36481E-03 -0.29545E-04 1872 0.236E-02 0.126E-01
DAV: 23 -0.445994387182E+03 -0.11504E-03 -0.44669E-04 1656 0.270E-02 0.432E-02
DAV: 24 -0.445994577876E+03 -0.19069E-03 -0.85732E-05 1600 0.157E-02 0.194E-02
DAV: 25 -0.445994636918E+03 -0.59042E-04 -0.30648E-05 1104 0.932E-03 0.239E-02
DAV: 26 -0.445994675248E+03 -0.38329E-04 -0.11279E-05 968 0.780E-03 0.269E-03
DAV: 27 -0.445994699892E+03 -0.24644E-04 -0.35345E-06 984 0.395E-03 0.673E-03
DAV: 28 -0.445994727415E+03 -0.27523E-04 -0.16509E-06 1000 0.361E-03 0.585E-03
DAV: 29 -0.445994741693E+03 -0.14278E-04 -0.19878E-06 1000 0.211E-03 0.359E-03
DAV: 30 -0.445994744649E+03 -0.29559E-05 -0.38289E-07 936 0.174E-03
1 F= -.44599474E+03 E0= -.44596831E+03 d E =-.792968E-01