Hey guys ,
Im new to QE , so I hope u can help me with running a programme
I've tried this : pw.x input.in > < output.out >
But it took much time
plz help me
On Thursday, November 13, 2014 2:39 PM, Davide Ceresoli
<[email protected]> wrote:
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 <[email protected]>
>> 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
>>
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