[Pw_forum] Calculation at high pressure

[Lorenzo Paulatto]

In data 03 giugno 2009 alle ore 09:30:11, Bipul Rakshit
<bipulrr at gmail.com> ha scritto:
> So I want to calculate the phonon properties of LaSb at BCT structure at
> 10GPa. So can anybody tell me what I have to put in my input file to put
> a pressure of 10GPa so that I can get all +ve frequencies at BCT structure?

You can specify a target pressure in variable-cell relaxation (look for
the "press" keyword in the &cell namelist). You can have the
stress/pressure printed in a normal scf calculation setting tstress=.true.
in the control namelist,

regards

>
> regards
>



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