Dear users of Wien2k
Our group, because of the tedious task of convergence tests operation, has
asked to our colleague Mr Benabdellah to develop a code that can do the job
for us.
The result is this beta version that needs improvement according to your
remarks after trying it.
You can download
Dear users
I obtained dielectric function curve (both real and imaginary). There are some
peaks in imaginary part of dielectric function which correspond to transition
on its band structure. How can i specify which transition in bands correspond
to those peaks?
Thanks in advance.
This the corrected link for the use of the package
[Wien] A new package for the Convergence Tests
--
Mr: A.Reggad
Laboratoire de GĂ©nie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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Dear Tomas
Are you a hokey player? I suppose not!
The problem with this is that the cell goes from CXY to P then in the cell the
number of atoms doubles.
What I did is to see the positions of the changes of the atoms with sgroup
Before sgroup:
1: X=0.5000 Y=0. Z=0.6300
2:
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