iterations/neb0_image06_iter10_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 0.209615029090E+04 0.20962E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.137461274230E+03 -0.22336E+04 -0.21430E+04 2144 0.262E+02
DAV: 3 -0.462873179452E+03 -0.32541E+03 -0.32035E+03 1928 0.108E+02
DAV: 4 -0.475676622127E+03 -0.12803E+02 -0.12761E+02 1968 0.226E+01
DAV: 5 -0.476102887665E+03 -0.42627E+00 -0.42601E+00 2104 0.369E+00 0.430E+01
DAV: 6 -0.448800986446E+03 0.27302E+02 -0.15033E+02 2040 0.327E+01 0.313E+01
DAV: 7 -0.448163550492E+03 0.63744E+00 -0.11720E+02 1960 0.160E+01 0.177E+01
DAV: 8 -0.445411473510E+03 0.27521E+01 -0.12524E+01 2192 0.120E+01 0.101E+01
DAV: 9 -0.444860421476E+03 0.55105E+00 -0.62581E+00 1824 0.589E+00 0.743E+00
DAV: 10 -0.444433588704E+03 0.42683E+00 -0.22179E+00 1888 0.347E+00 0.270E+00
DAV: 11 -0.444452696311E+03 -0.19108E-01 -0.59457E-01 1944 0.195E+00 0.248E+00
DAV: 12 -0.444550051418E+03 -0.97355E-01 -0.12292E+00 2296 0.224E+00 0.326E+00
DAV: 13 -0.444413247443E+03 0.13680E+00 -0.10235E-01 1928 0.978E-01 0.115E+00
DAV: 14 -0.444420858529E+03 -0.76111E-02 -0.30510E-02 1952 0.400E-01 0.894E-01
DAV: 15 -0.444419792271E+03 0.10663E-02 -0.72740E-02 2224 0.428E-01 0.249E-01
DAV: 16 -0.444423684740E+03 -0.38925E-02 -0.14949E-02 1976 0.202E-01 0.259E-01
DAV: 17 -0.444426279653E+03 -0.25949E-02 -0.17154E-02 1984 0.183E-01 0.273E-01
DAV: 18 -0.444426437986E+03 -0.15833E-03 -0.13401E-03 1816 0.720E-02 0.153E-01
DAV: 19 -0.444427274100E+03 -0.83611E-03 -0.79818E-04 2048 0.671E-02 0.584E-02
DAV: 20 -0.444429624984E+03 -0.23509E-02 -0.43021E-04 1864 0.504E-02 0.362E-02
DAV: 21 -0.444430320869E+03 -0.69589E-03 -0.19457E-04 2032 0.327E-02 0.360E-02
DAV: 22 -0.444430615324E+03 -0.29446E-03 -0.94586E-05 1784 0.225E-02 0.356E-02
DAV: 23 -0.444431298202E+03 -0.68288E-03 -0.19859E-04 1784 0.281E-02 0.191E-02
DAV: 24 -0.444431580961E+03 -0.28276E-03 -0.57032E-05 1680 0.174E-02 0.120E-02
DAV: 25 -0.444431644221E+03 -0.63261E-04 -0.32100E-05 1584 0.131E-02 0.713E-03
DAV: 26 -0.444431669850E+03 -0.25629E-04 -0.50981E-06 944 0.543E-03 0.661E-03
DAV: 27 -0.444431714311E+03 -0.44461E-04 -0.93855E-06 1112 0.580E-03 0.573E-03
DAV: 28 -0.444431724860E+03 -0.10549E-04 -0.26637E-06 936 0.339E-03 0.207E-03
DAV: 29 -0.444431733308E+03 -0.84481E-05 -0.11504E-06 952 0.263E-03
1 F= -.44443173E+03 E0= -.44442401E+03 d E =-.231781E-01