[Pw_forum] Elastic Constants

Nicola Marzari nicola.marzari at epfl.ch
Sun Nov 6 21:23:08 CET 2011


On 11/5/11 8:41 AM, henry odhiambo wrote:
> Hello everyone!
> This may be trivial but just try, please.
> Can anyone give me direction on how to calculate elastic constants using
> Quantum ESPRESSO codes.
> Thank you.
>
>


Dear Henry,

indeed, please sign with name *and* affiliation.

You can find some notes here (for Quantum-ESPRESSO), and
references to more general discussions:

http://ocw.mit.edu/courses/materials-science-and-engineering/3-320-atomistic-computer-modeling-of-materials-sma-5107-spring-2005/labs/lab_assignment2.pdf

In particular look at the URL reported:
http://cst-www.nrl.navy.mil/bind/static/example15/index.html
that links to this paper:
http://cst-www.nrl.navy.mil/users/mehl/papers/cij452.ps.gz

			nicola


-- 

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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL


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