I looked at the Landau quantization Wikipedia entry [1]. However, it was
not clear to me whether this was needed to describe a system with moving
spin (e.g., oscillating spins).
If so, I think the answer to your question it that your not missing
anything and WIEN2k does not have an external
Thank you, Ali, for the bug report and Gavin for the analysis!
BerryPI is fixed (https://github.com/spichardo/BerryPI) and there is
no need to change w2w. I have not done extensive tests, but Tutorial 1
worked in the SP mode.
I hope your calculation will now work too
Oleg
--
Oleg Rubel (PhD,
An additional comment:
You might consider upgrading from 13.1 to the latest WIEN2k version
(17.1) because of the dynamical Emax in case.in1(c) [1].
[1]
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14937.html
[2]
Dear Bingrui Peng
What are the eigenvalues and how many bands do you have in the valence
states.
When you did "x lapw1 -band" what was the energy range of your calculation.
Look at the case.output1 file, it contains the eigenvalues for each
k-points. You will then see the number of bands
Dear wien2k community
I'm running WIEN2K of 13 version on Linux system.
My case.insp is like this:
---
### Figure configuration
5.0 3.0 #
Interesting, I didn't know that WIEN2k can figure out what "band structure
with B>0" is... I thought there ought to be some Landau quantisation which
is hard to do except for idealised systems. Am I missing something here?
KV
--- x ---
dr. Karel Vyborny
Fyzikalni ustav AV CR, v.v.i.
Dear professor Blaha
Thank you very much for your suggestions. However, I'm still kind of confused,
because my purpose is to see the change of band structure under external
magnetic field, and l'm wondering whether NMR calculation can do this ? I'm
sorry for my limited knowledge as an
7 matches
Mail list logo
