iterations/neb0_image04_iter58_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 0.209167051780E+04 0.20917E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.139197955106E+03 -0.22309E+04 -0.21421E+04 2128 0.262E+02
DAV: 3 -0.465349518164E+03 -0.32615E+03 -0.32225E+03 1872 0.107E+02
DAV: 4 -0.477853594692E+03 -0.12504E+02 -0.12455E+02 1952 0.225E+01
DAV: 5 -0.478326959992E+03 -0.47337E+00 -0.47310E+00 2144 0.378E+00 0.430E+01
DAV: 6 -0.448406841492E+03 0.29920E+02 -0.14774E+02 2024 0.320E+01 0.384E+01
DAV: 7 -0.453899480854E+03 -0.54926E+01 -0.24671E+02 1904 0.147E+01 0.208E+01
DAV: 8 -0.447837381346E+03 0.60621E+01 -0.92801E+00 1760 0.820E+00 0.130E+01
DAV: 9 -0.446656825698E+03 0.11806E+01 -0.27673E+01 2016 0.123E+01 0.969E+00
DAV: 10 -0.445854374841E+03 0.80245E+00 -0.44357E+00 1848 0.381E+00 0.100E+01
DAV: 11 -0.445037114304E+03 0.81726E+00 -0.84312E-01 1984 0.214E+00 0.688E+00
DAV: 12 -0.444958599152E+03 0.78515E-01 -0.82804E+00 2184 0.413E+00 0.779E+00
DAV: 13 -0.444571255922E+03 0.38734E+00 -0.98987E-01 2040 0.333E+00 0.586E+00
DAV: 14 -0.444281248736E+03 0.29001E+00 -0.10387E+00 1824 0.123E+00 0.152E+00
DAV: 15 -0.444392654974E+03 -0.11141E+00 -0.98142E-01 1976 0.106E+00 0.488E+00
DAV: 16 -0.444287864174E+03 0.10479E+00 -0.32182E-01 1856 0.665E-01 0.262E+00
DAV: 17 -0.444287581784E+03 0.28239E-03 -0.19766E-02 1928 0.234E-01 0.196E+00
DAV: 18 -0.444291101472E+03 -0.35197E-02 -0.12529E-01 2240 0.427E-01 0.880E-01
DAV: 19 -0.444303768671E+03 -0.12667E-01 -0.21736E-02 1896 0.315E-01 0.549E-01
DAV: 20 -0.444303380690E+03 0.38798E-03 -0.22824E-03 1872 0.108E-01 0.256E-01
DAV: 21 -0.444304597706E+03 -0.12170E-02 -0.12985E-03 2032 0.895E-02 0.766E-02
DAV: 22 -0.444308362192E+03 -0.37645E-02 -0.13616E-03 1912 0.800E-02 0.236E-01
DAV: 23 -0.444310170006E+03 -0.18078E-02 -0.55575E-04 1936 0.548E-02 0.261E-01
DAV: 24 -0.444310891227E+03 -0.72122E-03 -0.23929E-04 1824 0.341E-02 0.197E-01
DAV: 25 -0.444311669246E+03 -0.77802E-03 -0.30077E-04 1840 0.327E-02 0.105E-01
DAV: 26 -0.444312484020E+03 -0.81477E-03 -0.15376E-04 1760 0.302E-02 0.849E-02
DAV: 27 -0.444312767196E+03 -0.28318E-03 -0.92676E-05 1856 0.182E-02 0.269E-02
DAV: 28 -0.444312863408E+03 -0.96212E-04 -0.13402E-05 1152 0.951E-03 0.141E-02
DAV: 29 -0.444312973906E+03 -0.11050E-03 -0.26402E-05 1240 0.106E-02 0.334E-02
DAV: 30 -0.444313042226E+03 -0.68320E-04 -0.10976E-05 1248 0.704E-03 0.408E-02
DAV: 31 -0.444313043800E+03 -0.15744E-05 -0.62031E-06 936 0.549E-03
1 F= -.44431304E+03 E0= -.44430443E+03 d E =-.258361E-01