[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
>> **********************************
>>
>>
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>> --
>> 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
>
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> --
> **********************************
> Amin Torabi
> Ph.D. Candidate
> Department of Chemistry
> University of Western Ontario
> **********************************
>
>
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--
Pietro Bonfa' - PhD student
Dipartimento di Fisica e Scienze della Terra "Macedonio Melloni"
Viale delle Scienze 7A
43124 Parma - Italy
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