Dear Wien2k experts
After successful completion of scf calculation, I would like to find eigen
values and eigen vectors using dense kmesh only in a small region of
Brillouin Zone where interesting physics is happenning. I plan to use this
information to get band structure, fermi surface etc around this region
which saves a lot of time instead of sampling the whole BZ.  So I am
wondering if I can make case.klist file by hand to sample only the region
of interest. However, I found that the kpoints in case.klist file should be
written as integer and a common divisor which is a pain and even after
doing so, I don't get exact k-point I want when I confirm by looking at the
fractional kpoint value (in terms of reciprocal lattice) printed in
case.energy file. And this is also not a displacement by reciprocal lattice
vector. So obviously, I don't understand what's going on.

So, my question is:
Is there a way to make lapw1 take klist expressed as  just 3 number e.g
(0.021,0.7,0.4)  in the units of reciprocal lattice vectors so that I don't
have to go through the process of writing in terms of integers and common
divisor?

Thank you for going through my query. I would appreciate any feedback from
the community.


-- 
With regards

Niraj Aryal
Grad. Student
Florida State University
Tallahassee, Florida-32304
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