[Wien] Problem with dielectric function

Hamza BFA hamza.bfa at gmail.com
Fri Mar 22 02:01:34 CET 2024


Hi,
after an optical calculation of a narrow gap semiconductor with PBEsol
functional, I obtained a zero imaginary part and a constant real part
(equal to 1) of the dielectric function.
More details :
23.2 version
init -prec 2 -numk 1500 -nohdlo -sp -b
runsp -p -ec 0.00001
input files are in attachment
Do you have a solution to this problem.?
Sincerely
#########################################YPdAs.epsilon
#

# Lorentzian broadening with gamma= 0.100000  [eV]
# Im(epsilon) shifted by   0.0000   [eV]
# No intraband contributions added
#
# Energy [eV] Re_eps_xx     Im_eps_xx     Re_eps_zz     Im_eps_zz
#
   0.013610  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
   0.040820  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
   0.068030  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
   0.095240  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
   0.122450  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
   0.149660  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
   0.176870  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
   0.204090  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
.....
.....
13.265560  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.292770  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.319980  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.347190  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.374400  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.401610  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.428820  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.456030  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.483250  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.510460  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.537670  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
  13.564880  0.100000E+01  0.000000E+00  0.100000E+01  0.000000E+00
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