r WIEN2k users <Wien@zeus.theochem.tuwien.ac.at
> >
> Date: Sunday, October 9, 2016 at 5:00 AM
> To: "wien@zeus.theochem.tuwien.ac.at" <Wien@zeus.theochem.tuwien.ac.at>
> Subject: Re: [Wien] Which notation for the spin direction in hexagonal
> structure
>
&g
Hello again
I have resolved the problem.
Now I ovserved that as in the case of NiO , the spin-orbit coupling doesn't
improve the gap for my compound.
My question is:
Which quantities are influenced by the spin-orbit coupling?
Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Thanks Dr Xavier for your quick reply
After typing the command : initso_lapw I got this error
algerien1970@linux-1h0d:~/Bureau/NiS> initso_lapw
The file NiS.in2c has been generated automatically
>Please select the direction of the moment ( h k l )
(For R-lattice in R
Dear Colleague
The notation is with three indices.
It will be along the directions defined in your case.struct file.
In other words, if you put 0 0 1, it will be along the c-axis of your
case.struct file.
Best Regards
Xavier
Le 09/10/2016 à 12:52, Abderrahmane Reggad a écrit :
Dear
Dear Wien2k users
I want to introduce the spin-orbit coupling in my calculation for a
hexagonal structure.
Would you inform me which notation should we use to introduce the spin
direction : that of 3 indicesor that of 4 indices.
NB: The spin direction for my case is the z direction
Best
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