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Elastic constant

Posted: Thu Sep 09, 2010 2:27 pm
by zaz
dear vasp user's
i want to calcutate elastic constante with vasp for the first time. can you help to do please?
thanks a lot
zaz

Elastic constant

Posted: Fri Sep 10, 2010 6:37 am
by boris
Hi

You only need to set IBRION=6 in the INCAR file, together with NSW=1. With this, VASP will automatically calculate the elastic tensor and print it at the end of the OUTCAR file.

Regards