[Pw_forum] cell(dm)

[Abolore Musari]

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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