Dear P. Blaha
Thank you for your help.
I would like to notice that I can see lines with label :SPI001 only in
the case in which
I don't change the "r-index, (l,s)index" and leave zero values for
them.
Earlier I had used RINDEX=1 LSINDEX=2 and got only :XOP lines in the
case.scfdmup file.
Look into the case.scfdmup file. Last line with label :SPI001 contains
sx,sy,sz.
On 2/25/20 1:49 AM, Artem Tarasov wrote:
Dear P. Blaha
Now I understand that I was wrong about a location of the spin texture
information (sx,sy,sz).
I thought that the ":XOP" line in .outputdm is exactly what I
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,
3 matches
Mail list logo
