iterations/neb0_image09_iter65_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 0.209660283482E+04 0.20966E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141053764836E+03 -0.22377E+04 -0.21461E+04 2144 0.262E+02
DAV: 3 -0.466345981149E+03 -0.32529E+03 -0.32186E+03 1848 0.108E+02
DAV: 4 -0.479213061487E+03 -0.12867E+02 -0.12816E+02 1960 0.228E+01
DAV: 5 -0.479690593597E+03 -0.47753E+00 -0.47729E+00 2120 0.384E+00 0.427E+01
DAV: 6 -0.447101447394E+03 0.32589E+02 -0.14308E+02 2024 0.307E+01 0.271E+01
DAV: 7 -0.449135189969E+03 -0.20337E+01 -0.76301E+01 1936 0.111E+01 0.137E+01
DAV: 8 -0.446210329799E+03 0.29249E+01 -0.81610E+00 2408 0.801E+00 0.824E+00
DAV: 9 -0.446748718855E+03 -0.53839E+00 -0.12468E+01 1856 0.376E+00 0.464E+00
DAV: 10 -0.446061053291E+03 0.68767E+00 -0.56826E-01 2080 0.377E+00 0.406E+00
DAV: 11 -0.446222382944E+03 -0.16133E+00 -0.36136E+00 1944 0.181E+00 0.413E+00
DAV: 12 -0.445999333982E+03 0.22305E+00 -0.88787E-01 2016 0.138E+00 0.225E+00
DAV: 13 -0.446017204913E+03 -0.17871E-01 -0.75282E-01 1976 0.801E-01 0.242E+00
DAV: 14 -0.445980396903E+03 0.36808E-01 -0.28055E-01 1880 0.527E-01 0.586E-01
DAV: 15 -0.445984784939E+03 -0.43880E-02 -0.90941E-03 1920 0.231E-01 0.246E-01
DAV: 16 -0.445986370429E+03 -0.15855E-02 -0.29331E-03 1880 0.120E-01 0.719E-02
DAV: 17 -0.445989599971E+03 -0.32295E-02 -0.51926E-03 2176 0.734E-02 0.421E-01
DAV: 18 -0.445992020472E+03 -0.24205E-02 -0.19874E-02 2368 0.132E-01 0.495E-01
DAV: 19 -0.445992775335E+03 -0.75486E-03 -0.14207E-03 1816 0.658E-02 0.138E-01
DAV: 20 -0.445994023546E+03 -0.12482E-02 -0.39171E-04 1832 0.354E-02 0.829E-02
DAV: 21 -0.445994779092E+03 -0.75555E-03 -0.31553E-04 1984 0.294E-02 0.543E-02
DAV: 22 -0.445995415696E+03 -0.63660E-03 -0.11231E-04 1728 0.231E-02 0.807E-02
DAV: 23 -0.445995599876E+03 -0.18418E-03 -0.59003E-05 1496 0.180E-02 0.348E-02
DAV: 24 -0.445995769492E+03 -0.16962E-03 -0.10207E-04 1648 0.170E-02 0.406E-02
DAV: 25 -0.445995825964E+03 -0.56471E-04 -0.10603E-05 1120 0.863E-03 0.244E-02
DAV: 26 -0.445995875396E+03 -0.49433E-04 -0.76696E-06 1064 0.705E-03 0.203E-02
DAV: 27 -0.445995896803E+03 -0.21407E-04 -0.11012E-05 976 0.476E-03 0.842E-03
DAV: 28 -0.445995934453E+03 -0.37649E-04 -0.26885E-06 1040 0.362E-03 0.668E-03
DAV: 29 -0.445995942063E+03 -0.76100E-05 -0.92675E-07 936 0.173E-03
1 F= -.44599594E+03 E0= -.44596952E+03 d E =-.792602E-01