mirror of https://gitlab.com/QEF/q-e.git
6148f5e5c5
See https://stackoverflow.com/questions/50148175/what-does-cd-echo-0-sed-s-1-do-in-bash-script Note: some trailing blanks have been removed as well by the script I used. Use "git diff -b" to see only the true changes. |
||
|---|---|---|
| .. | ||
| reference | ||
| Ag_ONCV_PBE-1.0.upf | ||
| README | ||
| run_example | ||
README
To run the example do:
./run_example
Computes the optical properties of bulk silver at the independent particle level with the optimal basis method
Output files produced by simple_ip.x:
ag.dos_broadening.dat --> Density of states
ag.jdos.dat --> Joint density of states
ag.eps_inter_im.dat --> Imaginary part of the interband contribution to the dielectric function computed along x, y and z
ag.eps_inter_re.dat --> Real part of the interband contribution to the dielectric function computed along x, y and z
ag.eps_tot_im.dat --> Imaginary part of the full dielectric function (interband+intraband) computed along x, y and z
ag.eps_tot_re.dat --> Real part of the full dielectric function (interband+intraband) computed along x, y and z
ag.eels.dat --> Electron energy loss spectrum computed along x, y and z
ag.optical_constants.dat --> Real and imaginary part of the full dielectric function, refractive index, extinction coefficient, reflectivity
(averaged over the three directions x, y and z)