[Wien] crystal field parameters ?
Pavel Novak
novakp at fzu.cz
Wed Nov 25 07:28:53 CET 2009
Dear Susanta,
there are no standard outputs for crystal field parameters neither
in WIEN2k nor in any other ab-initio package. The approach depends on
whether you are interested in RE, 3d or actinides. You can learn more
from
S.V. Streltsov et al., PRB 71,245114 (2005)
P. Novak, M. Divis, phys.stat.sol (b) 244,3168 (2007)
P. Novak, phys.stat.sol (b)198, 729 (1996)
Regards
Pavel
On Mon, 23 Nov 2009, susanta mohanta wrote:
> Dear WIEN2k users,
>
> How to extract the crystal filed parameters with wien2k.
> what are the standard output filed and any if possible
> please also provide the reference(s) ?
>
> with regards
> susanta
>
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