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 ?
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tfujita
Young modulus ?
Last edited by tfujita on Wed Nov 08, 2006 4:50 am, edited 1 time in total.
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Young modulus ?
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
Last edited by admin on Wed Nov 15, 2006 12:59 pm, edited 1 time in total.