Page 1 of 1

Young modulus ?

Posted: Wed Nov 08, 2006 4:50 am
by tfujita
How can I calculate a Young modulus of bulk metals?
I want to know the Young modulus of an amorphous model of 100 atoms.
I do not know how to write INCAR file and how to retrieve.

Thanks.

Young modulus ?

Posted: Wed Nov 15, 2006 12:59 pm
by admin
the Young modulus itself is not calculated in vasp, you have to calculate it from the stress tensor and E/V information you can obtain by appropriate settings of ISIF