[Pw_forum] Relax keeping orthogonality

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Fri Jul 28 13:05:40 CEST 2017


P. S. Check cell_dofree in the manual

-- 
Lorenzo Paulatto
Written on a virtual keyboard with real fingers

On 28 Jul 2017 1:02 p.m., "Lorenzo Paulatto" <lorenzo.paulatto at impmc.upmc.fr>
wrote:

> Yes
>
> --
> Lorenzo Paulatto
> Written on a virtual keyboard with real fingers
>
> On 28 Jul 2017 11:34 a.m., <elchatz at auth.gr> wrote:
>
>> Dear all,
>>
>> Are there any options for relaxing the atomic positions and optimize
>> the cell without changing the corners between the vectors?
>>
>>
>> Thank you
>>
>> Eleni
>>
>>
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
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