[Pw_forum] elastic constants

Stefano Baroni baroni at sissa.it
Fri Aug 5 17:41:40 CEST 2011

As with any other periodic code, I guess: by calculating the stress response to a given strain. If you go through the QE users' manual, I am pretty sure you will find how to instruct QE to calculate the stress tensor (look how to set the variable "tstress"). A HTH
By the way: would you be so kind as to sign future posts to this forum, including your academic affiliation?
Thanks - SB

On Aug 5, 2011, at 4:10 PM, bhabya sahoo wrote:

> how can elastic constants determined in espresso code for a cubic system
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Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
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