[Pw_forum] fix volume

[Axel Kohlmeyer]

On Mon, Nov 12, 2012 at 9:13 AM, Sakhrawi Taoufek <tsakhrawi at yahoo.com>wrote:

> Dear all,
>
> i want to fix the volume and each time calculate the total energy to optimize the lattice parameter, there is any idea how to proceed.
>
> what do you mean by "fixing" the volume?

if you do a regular single point calculation
(i.e. set calculation='scf') the volume is an
input parameter and doesn't change.

axel.


> each suggestion will be appreciated.
> --------------------------------
> Sakhraoui
>  Taoufik
> Ph.D student
>
> Faculty of Sciences of Monastir
> Department of Physics
> L.M.C.N
> Monastir, Tunisia
> --------------------------------
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.
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