[Pw_forum] Strain calculation through quantum espresso

Paolo Giannozzi giannozz at democritos.it
Wed Jul 8 12:34:13 CEST 2009


On Jul 8, 2009, at 12:20 , Dimpy Sharma wrote:
> Could anyone please tell me how to calculate strain of a supercell  
> through quantum espresso, as in the manual it has not been  
> mentioned properly.
>
could you please explain why you think that there should be anything  
special
in stress calculations for supercells?

---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






More information about the users mailing list