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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110805/921bbf6c/attachment.htm
