[Pw_forum] SCF Calculation

[Lorenzo Paulatto]

pseudopotentials, crystal structure (cell and positions of the atoms) and
ecutwfc
kind regards

On 20 October 2015 at 09:06, Lorenzo Paulatto <paulatz at gmail.com> wrote:

> pseudopotentials, crystal structure (cell and positions of the atoms) and
> ecutwfc
> kind regards
>
>
> On 19 October 2015 at 20:00, Mofrad, Amir Mehdi (MU-Student) <
> amzf5 at mail.missouri.edu> wrote:
>
>> Dear all users,
>>
>>
>> Can anyone tell me what the least needed parameters to do scf
>> calculations in quantum espresso are? I would really appreciate it.
>>
>>
>> Thank you,
>>
>>
>> Amir
>>
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>>
>
>
>
> --
> Lorenzo Paulatto - Paris
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
>
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