[gpaw-users] Poteitial file for Yttrium

[ksaha at physics.udel.edu]

Hello users,

I am wondering if anyone has created the atomic potential file for
Yttrium. I need it for a calculation. Currently, it is not available at
https://wiki.fysik.dtu.dk/gpaw/setups/setups.html#setups

Many thanks,
Kamal

==========================================================
 Kamal K. Saha, PhD
 Department of Physics and Astronomy
 University of Delaware
 Newark, DE 19716-2570
 Phone: (302) 831-8519, Fax: (302) 831-1637
==========================================================

On Mon, February 27, 2012 1:45 am, Jens Jørgen Mortensen wrote:
> On 23-02-2012 17:47, ksaha at physics.udel.edu wrote:
>> Hi JJ,
>>
>> There is no atomic potential file for yttrium into the directory
>> gpaw-setups-0.6.6300. Is there any other place I can get it from or can
>> one create it (and how)? Thank you!
>
> I think someone may have generated such a setup.  Try asking on the
> gpaw-users mailing list.
>
> Jens Jørgen
>
>