[Pw_forum] pressure

[bhabya sahoo]

i know this how the program calculates?

On Thu, Jan 12, 2012 at 2:00 AM, Lorenzo Paulatto <
Lorenzo.Paulatto at impmc.upmc.fr> wrote:

> On Thu, 12 Jan 2012 10:08:59 +0100, bhabya sahoo <bdslipun at gmail.com>
> wrote:
> > how one can claculate the pressure in pwscf
> > by giving only a single volume
>
>
>
>  From Doc/INPUT_PW.txt:
>    +--------------------------------------------------------------------
>    Variable:       tstress
>
>    Type:           LOGICAL
>    Default:        .false.
>    Description:    calculate stress. It is set to .TRUE. automatically if
>                    calculation='vc-md' or 'vc-relax'
>    +--------------------------------------------------------------------
>
> best regards
>
>
>
> --
> 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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