iterations/neb0_image01_iter27_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 0.208837302279E+04 0.20884E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.141227973983E+03 -0.22296E+04 -0.21421E+04 2144 0.261E+02
DAV: 3 -0.461940065837E+03 -0.32071E+03 -0.31715E+03 1896 0.107E+02
DAV: 4 -0.475390458875E+03 -0.13450E+02 -0.13226E+02 1976 0.226E+01
DAV: 5 -0.475873298311E+03 -0.48284E+00 -0.48250E+00 2088 0.377E+00 0.435E+01
DAV: 6 -0.458834720515E+03 0.17039E+02 -0.24167E+02 2048 0.320E+01 0.410E+01
DAV: 7 -0.449824565243E+03 0.90102E+01 -0.40810E+01 1764 0.140E+01 0.197E+01
DAV: 8 -0.445372045343E+03 0.44525E+01 -0.83961E+00 1792 0.714E+00 0.113E+01
DAV: 9 -0.446561583118E+03 -0.11895E+01 -0.25091E+01 2120 0.788E+00 0.995E+00
DAV: 10 -0.446023194171E+03 0.53839E+00 -0.13980E+00 1832 0.223E+00 0.895E+00
DAV: 11 -0.444830535456E+03 0.11927E+01 -0.19683E+00 2016 0.244E+00 0.560E+00
DAV: 12 -0.445024234480E+03 -0.19370E+00 -0.74989E+00 2040 0.275E+00 0.139E+01
DAV: 13 -0.444426385591E+03 0.59785E+00 -0.59202E+00 1968 0.247E+00 0.376E+00
DAV: 14 -0.444485167967E+03 -0.58782E-01 -0.14030E-01 1880 0.741E-01 0.338E+00
DAV: 15 -0.444375499476E+03 0.10967E+00 -0.19813E-02 2056 0.465E-01 0.128E+00
DAV: 16 -0.444385852012E+03 -0.10353E-01 -0.10022E-02 1896 0.326E-01 0.108E+00
DAV: 17 -0.444392217033E+03 -0.63650E-02 -0.17690E-01 2048 0.373E-01 0.737E-01
DAV: 18 -0.444398511480E+03 -0.62944E-02 -0.42898E-03 1920 0.159E-01 0.376E-01
DAV: 19 -0.444398190031E+03 0.32145E-03 -0.15531E-03 1888 0.933E-02 0.191E-01
DAV: 20 -0.444399297296E+03 -0.11073E-02 -0.67512E-04 1944 0.665E-02 0.443E-02
DAV: 21 -0.444400384293E+03 -0.10870E-02 -0.20797E-04 1824 0.348E-02 0.605E-02
DAV: 22 -0.444401441782E+03 -0.10575E-02 -0.16487E-04 1936 0.362E-02 0.116E-01
DAV: 23 -0.444401575007E+03 -0.13323E-03 -0.15356E-04 1960 0.372E-02 0.237E-02
DAV: 24 -0.444401906419E+03 -0.33141E-03 -0.44982E-05 1680 0.194E-02 0.171E-02
DAV: 25 -0.444402387336E+03 -0.48092E-03 -0.10488E-04 1832 0.211E-02 0.284E-02
DAV: 26 -0.444402472787E+03 -0.85452E-04 -0.19663E-05 1488 0.150E-02 0.869E-03
DAV: 27 -0.444402532159E+03 -0.59372E-04 -0.20850E-05 1536 0.963E-03 0.951E-03
DAV: 28 -0.444402549985E+03 -0.17826E-04 -0.32136E-06 952 0.467E-03 0.542E-03
DAV: 29 -0.444402578327E+03 -0.28342E-04 -0.76079E-06 1144 0.770E-03 0.170E-02
DAV: 30 -0.444402583153E+03 -0.48260E-05 -0.23308E-06 936 0.394E-03
1 F= -.44440258E+03 E0= -.44439564E+03 d E =-.208318E-01