It is a bit tedious, but of course you can always run
x lapw2 -so -up -all emin emax
x lapwdm -up -so
and set emin emax such that only one eigenvalue is included.
-------- Forwarded Message --------
Subject: Re: [Wien] Components of spin momentum in crystal coordinate
system
Date: Thu, 20 Feb 2020 03:48:34 +0300
From: Артем Тарасов <artem.tara...@spbu.ru>
To: pbl...@theochem.tuwien.ac.at <pbl...@theochem.tuwien.ac.at>
Dear P. Blaha
Thank you very much!
If you don't mind, I would like to resolve my last question about this
topic.
My current task consist in determination of Sx, Sy, Sz values for a
certain state psi_{k,n}.
I can choose a single k-point (in case.klist), but I obliged to do
summing in some energy range (Emin,Ef) for calculating the population
matrix.
Is there a way to reduce this range to a single point of a given energy
for calculation of corresponding Sx, Sy, Sz values?
Sincerely yours,
Artem Tarasov
Department of Solid State Electronics
SPSU.
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