Hello WIEN2k experts
I want
to study the optical properties of Al As1-x Px (x=0,0.25,0.5,0.75, 1) but I
have some problems for doing this job .Would
you mind please helping me about these problems?
1- Should I
consider a denser mesh for ordinary compound
(AlP) than alloy (Al As0.75P0.25)?
Dear Prof. Peter Blaha & WIEN2k Users,
I am doing spin-orbit calculations for the orthorhombic system.
I am using the wien2k 11 version. I have applied spin orbit coupling for
all the elements (default), case.inso file is showing like this
WFFIL
4 0 0 llmax,ipr,kpot
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