[Pw_forum] Fwd: copper norm-conserving pseudopotential

Pietro Bonfa' pietro.bonfa at fis.unipr.it
Thu Apr 24 16:49:36 CEST 2014


Dear Amin Torabi,

I googled that and found that Davide Ceresoli made a NC pseudo for Copper.

https://sites.google.com/site/dceresoli/pseudopotentials#Cu

I just tested it in Cu2O and obtained the figure attached. I'd be glad
to receive your testing results.

Kind regards,
Pietro Bonfa'

On 04/24/2014 04:25 PM, Amin Torabi wrote:
> Lorenzo,
> 
> Any idea where I can get one?
> 
> 
> On Thu, Apr 24, 2014 at 8:03 AM, Lorenzo Paulatto
> <lorenzo.paulatto at impmc.upmc.fr <mailto:lorenzo.paulatto at impmc.upmc.fr>>
> wrote:
> 
> 
>     On 04/23/2014 07:43 PM, Amin Torabi wrote:
>>     Dear all,
>>
>>     Does anyone know Why there isn't any norm-conserving
>>     pseudopotential for copper in the nc_ps_collection.job file of the
>>     pslibrary package?
>     Because it takes a lot of human time to make one.
>>
>>     Thanks for letting me know!
>     HTH
>>
>>
>>     -- 
>>     **********************************
>>     Amin Torabi
>>     Ph.D. Candidate
>>     Department of Chemistry
>>     University of Western Ontario
>>     **********************************
>>
>>
>>     _______________________________________________
>>     Pw_forum mailing list
>>     Pw_forum at pwscf.org <mailto:Pw_forum at pwscf.org>
>>     http://pwscf.org/mailman/listinfo/pw_forum
>>
>>     -- 
>>     Dr. Lorenzo Paulatto
>>     IdR @ IMPMC -- CNRS & Université Paris 6
>>     +33 (0)1 44 275 084 <tel:%2B33%20%280%291%2044%20275%20084> / skype: paulatz
>>     http://www-int.impmc.upmc.fr/~paulatto/
>>     23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 
> 
>     _______________________________________________
>     Pw_forum mailing list
>     Pw_forum at pwscf.org <mailto:Pw_forum at pwscf.org>
>     http://pwscf.org/mailman/listinfo/pw_forum
> 
> 
> 
> 
> -- 
> **********************************
> Amin Torabi
> Ph.D. Candidate
> Department of Chemistry
> University of Western Ontario
> **********************************
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
> 


-- 
Pietro Bonfa' - PhD student
Dipartimento di Fisica e Scienze della Terra "Macedonio Melloni"
Viale delle Scienze 7A
43124 Parma - Italy
-------------- next part --------------
A non-text attachment was scrubbed...
Name: conv.png
Type: image/png
Size: 19490 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140424/794f7774/attachment.png>


More information about the users mailing list