File: README

package info (click to toggle)
espresso 6.7-4
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 311,068 kB
  • sloc: f90: 447,429; ansic: 52,566; sh: 40,631; xml: 37,561; tcl: 20,077; lisp: 5,923; makefile: 4,503; python: 4,379; perl: 1,219; cpp: 761; fortran: 618; java: 568; awk: 128
file content (19 lines) | stat: -rw-r--r-- 1,133 bytes parent folder | download | duplicates (3)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19

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)