[Pw_forum] pressure

[Lorenzo Paulatto]

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
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