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 & Universit? Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www: http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
