iterations/neb0_image04_iter38_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 0.208996670334E+04 0.20900E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.141734161548E+03 -0.22317E+04 -0.21409E+04 2136 0.262E+02
DAV: 3 -0.466083881388E+03 -0.32435E+03 -0.32091E+03 1864 0.107E+02
DAV: 4 -0.478487036736E+03 -0.12403E+02 -0.12349E+02 1952 0.223E+01
DAV: 5 -0.478954000399E+03 -0.46696E+00 -0.46670E+00 2120 0.379E+00 0.431E+01
DAV: 6 -0.447503590368E+03 0.31450E+02 -0.14607E+02 2040 0.317E+01 0.383E+01
DAV: 7 -0.454594996139E+03 -0.70914E+01 -0.31062E+02 1920 0.137E+01 0.210E+01
DAV: 8 -0.448531254188E+03 0.60637E+01 -0.87673E+00 1800 0.738E+00 0.127E+01
DAV: 9 -0.445934414851E+03 0.25968E+01 -0.20616E+01 2048 0.116E+01 0.922E+00
DAV: 10 -0.445178063862E+03 0.75635E+00 -0.41913E+00 1904 0.360E+00 0.104E+01
DAV: 11 -0.444590932302E+03 0.58713E+00 -0.62793E-01 1944 0.169E+00 0.628E+00
DAV: 12 -0.445005258505E+03 -0.41433E+00 -0.92580E+00 2168 0.378E+00 0.707E+00
DAV: 13 -0.444432818572E+03 0.57244E+00 -0.91234E-01 2056 0.328E+00 0.729E+00
DAV: 14 -0.444267634935E+03 0.16518E+00 -0.45033E-01 1856 0.878E-01 0.535E+00
DAV: 15 -0.444301077730E+03 -0.33443E-01 -0.34296E+00 1984 0.153E+00 0.629E+00
DAV: 16 -0.444122611459E+03 0.17847E+00 -0.19670E-01 1832 0.742E-01 0.403E+00
DAV: 17 -0.444083666278E+03 0.38945E-01 -0.41960E-01 2048 0.719E-01 0.804E-01
DAV: 18 -0.444145822525E+03 -0.62156E-01 -0.50880E-02 1920 0.434E-01 0.981E-01
DAV: 19 -0.444146803965E+03 -0.98144E-03 -0.17551E-02 2056 0.264E-01 0.445E-01
DAV: 20 -0.444150016918E+03 -0.32130E-02 -0.68244E-03 1904 0.139E-01 0.349E-01
DAV: 21 -0.444151271461E+03 -0.12545E-02 -0.43115E-03 1992 0.102E-01 0.264E-01
DAV: 22 -0.444155228952E+03 -0.39575E-02 -0.18039E-03 2000 0.992E-02 0.314E-01
DAV: 23 -0.444156593802E+03 -0.13648E-02 -0.21918E-03 1912 0.672E-02 0.535E-02
DAV: 24 -0.444158678411E+03 -0.20846E-02 -0.82619E-04 1816 0.604E-02 0.149E-01
DAV: 25 -0.444159459971E+03 -0.78156E-03 -0.17957E-04 1888 0.287E-02 0.117E-01
DAV: 26 -0.444159938157E+03 -0.47819E-03 -0.11750E-04 1824 0.281E-02 0.643E-02
DAV: 27 -0.444160276623E+03 -0.33847E-03 -0.33741E-04 1784 0.262E-02 0.763E-02
DAV: 28 -0.444160363284E+03 -0.86661E-04 -0.63514E-05 1264 0.134E-02 0.222E-02
DAV: 29 -0.444160442966E+03 -0.79682E-04 -0.20479E-05 1232 0.811E-03 0.124E-02
DAV: 30 -0.444160476441E+03 -0.33475E-04 -0.74290E-06 976 0.573E-03 0.151E-02
DAV: 31 -0.444160509866E+03 -0.33425E-04 -0.33524E-06 1104 0.316E-03 0.400E-03
DAV: 32 -0.444160517726E+03 -0.78597E-05 -0.58708E-07 936 0.190E-03
1 F= -.44416052E+03 E0= -.44413930E+03 d E =-.636588E-01