[Pw_forum] cell(dm)

[Stefano de Gironcoli]

Dear Abolore Musari ,
   I'm not sure I understood your question... it would help if you  
would write in English.
stefano

Quoting Abolore Musari <abmus007 at gmail.com>:

> Dear sir, am glad for the info thanks, but first if my celldm(4) =
> -0.7724 Sir is d -ve sign allowed note that i got this from cos(ab)
> where a and b r in bohr, secondly hw do l locate my answer? afta d vc
> relax cos ve done it using example03 of the expresso. THANKS
>
> On 4/24/11, Stefano de Gironcoli <degironc at sissa.it> wrote:
>> the simplest way to optimize the cell of your system would be to use
>> vc-relax choosing bfgs or damp dynamics. as a default I would begin
>> with bfgs
>>
>> stefano
>>
>> Quoting Abolore Musari <abmus007 at gmail.com>:
>>
>>> Dear QE User, l want to ask if for instance am workn on orthorhombic
>>> sys r we going to perform lattice constant optimization for b and c
>>> also afer performing for a. THANKS  MUSARI, A. A DEPT OF PHY UNAAB
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>>
>>
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