Hello Oleg,
yes, I am. The systems with SOC are the main field of my interests.
Initially I was attempting to include QTL-information in unfolded bands exactly
for their studying.
So now I use the results of fold2bloch for the case.vectorsoup(dn) files, as
well as the “x lapw2 -up (-dn) -qtl -s
Hello Oleg,
I’m sorry for that my question was not enough clear. Now I will try to describe
my situation in terms of lapw1, lapw2 and fold2bloch output files. After
completion of "lapw1 -band" I got eigenvalues of energy for all states in
k-vectors that listed in case.klist_band. Then I can use
Dear Wien2K users,
In [Novak, 2006] I have found information about subroutine couplx. In according
to it: “Subroutine couplx now calculate matrices of all components of spin and
orbital momentum in crystal coordinate system
(sx, sy, sz, lx, ly, lz) and in coordinate system where quantization axi
Dear Oleg,
thank you for your help!
Your advice was very useful for me and now my problem is resolved.
Over time, I would like to realize an automation of individual selecting the
divider for different sectors of the k-path.
For example, it will be useful for path consisting points Gamma and M
Dear Oleg,
thank you very much for your reply.
Actually I have already made some quick fixes in the script of your utility for
folding a k-path
to use it with Wien2k. I successfully applied it for unfolding the GKM path,
but I cannot
use it for non-symmetric paths. When I choose the path: [-4/3
5 matches
Mail list logo
