iterations/neb0_image07_iter69_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 0.210174434869E+04 0.21017E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.139709647197E+03 -0.22415E+04 -0.21525E+04 2152 0.262E+02
DAV: 3 -0.465280286094E+03 -0.32557E+03 -0.32170E+03 1864 0.107E+02
DAV: 4 -0.478028115828E+03 -0.12748E+02 -0.12700E+02 1944 0.228E+01
DAV: 5 -0.478514642646E+03 -0.48653E+00 -0.48627E+00 2128 0.387E+00 0.429E+01
DAV: 6 -0.448341070034E+03 0.30174E+02 -0.14672E+02 2000 0.315E+01 0.271E+01
DAV: 7 -0.446386250534E+03 0.19548E+01 -0.25115E+01 1880 0.115E+01 0.136E+01
DAV: 8 -0.448081899904E+03 -0.16956E+01 -0.29545E+01 2440 0.861E+00 0.101E+01
DAV: 9 -0.445980912633E+03 0.21010E+01 -0.26214E+00 2096 0.474E+00 0.648E+00
DAV: 10 -0.446839914465E+03 -0.85900E+00 -0.20483E+01 2328 0.619E+00 0.867E+00
DAV: 11 -0.445402176337E+03 0.14377E+01 -0.13918E+00 2224 0.403E+00 0.168E+00
DAV: 12 -0.445503303994E+03 -0.10113E+00 -0.75347E-01 1856 0.122E+00 0.311E+00
DAV: 13 -0.445519603629E+03 -0.16300E-01 -0.11969E+00 2656 0.121E+00 0.250E+00
DAV: 14 -0.445463917287E+03 0.55686E-01 -0.20032E-01 2384 0.834E-01 0.915E-01
DAV: 15 -0.445483565670E+03 -0.19648E-01 -0.35326E-02 1856 0.326E-01 0.171E+00
DAV: 16 -0.445470368154E+03 0.13198E-01 -0.72606E-02 2360 0.467E-01 0.835E-01
DAV: 17 -0.445475353891E+03 -0.49857E-02 -0.74648E-03 1872 0.192E-01 0.857E-01
DAV: 18 -0.445472006630E+03 0.33473E-02 -0.15103E-03 2056 0.124E-01 0.505E-01
DAV: 19 -0.445471995195E+03 0.11435E-04 -0.20861E-03 1928 0.118E-01 0.779E-02
DAV: 20 -0.445475494760E+03 -0.34996E-02 -0.12396E-03 1896 0.830E-02 0.144E-01
DAV: 21 -0.445476606933E+03 -0.11122E-02 -0.26161E-04 1936 0.380E-02 0.229E-01
DAV: 22 -0.445476568499E+03 0.38434E-04 -0.45338E-05 1608 0.172E-02 0.183E-01
DAV: 23 -0.445477770566E+03 -0.12021E-02 -0.19621E-04 1688 0.304E-02 0.120E-01
DAV: 24 -0.445478217838E+03 -0.44727E-03 -0.20793E-04 1840 0.396E-02 0.387E-02
DAV: 25 -0.445478357388E+03 -0.13955E-03 -0.62187E-05 1792 0.178E-02 0.431E-02
DAV: 26 -0.445478389495E+03 -0.32108E-04 -0.31088E-06 936 0.500E-03 0.525E-02
DAV: 27 -0.445478428074E+03 -0.38579E-04 -0.33533E-05 1424 0.161E-02 0.143E-02
DAV: 28 -0.445478467984E+03 -0.39910E-04 -0.13349E-05 1264 0.828E-03 0.282E-02
DAV: 29 -0.445478487393E+03 -0.19409E-04 -0.21441E-06 1024 0.500E-03 0.155E-02
DAV: 30 -0.445478495497E+03 -0.81039E-05 -0.51632E-06 976 0.641E-03
1 F= -.44547850E+03 E0= -.44546143E+03 d E =-.511896E-01