[Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW

Davide Ceresoli davide.ceresoli at istm.cnr.it
Thu Nov 13 12:06:07 CET 2014


I've sent and uploaded couple of Mn pseudos with GIPAW
reconstruction. Please test!

Davide

On 11/12/2014 10:50 PM, Paolo Giannozzi wrote:
> I hadn't noticed that you need GIPAW reconstruction info.
> If so, you will need to generate one. Unfortunately Mn is
> a tough guy. Good luck.
>
> Paolo
>
> On Wed, 2014-11-12 at 11:00 +0000, roberta pigliapochi wrote:
>> Dear Paolo,
>>
>> Thank you very much for the quick reply and I'm sorry for being
>> stubborn but to me those two PPs don't seem to have the GIPAW
>> reconstruction. Am I talking nonsense?
>>
>> Thank you again.
>> Roberta
>>
>>
>> Roberta Pigliapochi
>> PhD Student | Grey Research Group
>> University of Cambridge
>>
>> On 12 November 2014 10:40, Paolo Giannozzi <paolo.giannozzi at uniud.it>
>> wrote:
>>          There are two norm-conserving PBE PP for Mn in the web site.
>>          Presumably they will require one million (for the FHI one)
>>          or one billion (for the HGH one) Ry cutoff.
>>
>>          Paolo
>>



More information about the users mailing list