[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20240322/d15cf900/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: YPdAs.inop
Type: application/octet-stream
Size: 428 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20240322/d15cf900/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: YPdAs.injoint
Type: application/octet-stream
Size: 702 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20240322/d15cf900/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: YPdAs.inkram
Type: application/octet-stream
Size: 223 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20240322/d15cf900/attachment-0002.obj>
More information about the Wien
mailing list