Hi All,
I am a new VASP user. I am trying to do elastic constant calculation using stress-strain calculated by vasp4.6. After straining the relaxed cell with (100000), I am getting C14=0 (all the forces for different strain magnitudes are zero), but the C15 is non-zero, with a value close to what I expected. We know for 3m class, C14 is not zero, but C15 is zero. Is my problem caused by the crystallographic setting I am using?
Thanks for your help. -BBL
Setting for trigonal (P-3m1, 164) for elastic constant calculation
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babaleo
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Setting for trigonal (P-3m1, 164) for elastic constant calculation
Last edited by babaleo on Wed Nov 17, 2010 1:52 pm, edited 1 time in total.
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support_vasp
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Re: Setting for trigonal (P-3m1, 164) for elastic constant calculation
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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VASP