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
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zaz
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Elastic constant
Last edited by zaz on Thu Sep 09, 2010 2:27 pm, edited 1 time in total.
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boris
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Elastic constant
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
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
Last edited by boris on Fri Sep 10, 2010 6:37 am, edited 1 time in total.