Dear Amir,
in the pslibrary project you can certainly find an US pseudo for Silicon.
however Silicon is one of the least problematic elements and you
probably don't need an US pseudo for it. The code can with no problem
handle different pseudo types in the same run.
best,
stefano
On 05/08/2016 02:27, Mofrad, Amir Mehdi (MU-Student) wrote:
Thank you for your reply but I haven't been able to find Ultrasoft LDA
Vanderbilt type for Silicon there.
Best,
Amir M. Mofrad
------------------------------------------------------------------------
*From:* [email protected] <[email protected]> on
behalf of Manu Hegde <[email protected]>
*Sent:* Thursday, August 4, 2016 1:19:53 PM
*To:* PWSCF Forum
*Subject:* Re: [Pw_forum] Pseudopotential
sorry the link is http://theossrv1.epfl.ch/Main/Pseudopotentials
On Thu, Aug 4, 2016 at 3:18 PM, Manu Hegde <[email protected]
<mailto:[email protected]>> wrote:
please check here.. download the zip file.
Manu
(University of Waterloo)
On Thu, Aug 4, 2016 at 1:12 PM, Mofrad, Amir Mehdi (MU-Student)
<[email protected] <mailto:[email protected]>> wrote:
Dear all,
I wanted to use Vanderbilt-type ultrasoft pseudopotential at
LDA level for both Si and O in my calculations. There is one
for oxygen but I couldn't find one for silicon. How can I find
one for silicon?
Best,
Amir M. Mofrad
_______________________________________________
Pw_forum mailing list
[email protected] <mailto:[email protected]>
http://pwscf.org/mailman/listinfo/pw_forum
<http://pwscf.org/mailman/listinfo/pw_forum>
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
