[Wien] crystal field parameters ?

[susanta mohanta]

thanks Prof. Novak. I am interested in RE and i ll check these.

On Wed, Nov 25, 2009 at 11:58 AM, Pavel Novak <novakp at fzu.cz> wrote:

> 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
>>
>>
> --
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091125/b20921d4/attachment.htm>