[Pw_forum] Stress calculation in quantum espresso

[Lorenzo Paulatto]

In data 29 giugno 2009 alle ore 17:15:26, Dimpy Sharma  
<dimpy.sharma at tyndall.ie> ha scritto:
> I want to calculate stress for a system using quantum espresso, I know  
> that setting tstress=true in the first namelist $ control,

Dear Dimpy,
that's all you need to do. If you set tstress=.true. the stress tensor  
will be computed and printed, no matter the kind of calculation. If you  
are doin a variable-cell optimization (vc-md or vc-relax) it will than be  
used to optimize the cell, otherwise it will just be printed and ignored.

best regards

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Lorenzo Paulatto
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