calculation under direction-dependent stress

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jinlannie
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calculation under direction-dependent stress

#1 Post by jinlannie » Sun Dec 05, 2021 2:43 pm

Hi admin,
Can VASP calculate the structural properties under stress along specified direction (for example only along the a and b axis)?

Cheers,
Jinlan

henrique_miranda
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Re: calculation under direction-dependent stress

#2 Post by henrique_miranda » Mon Dec 06, 2021 7:31 am

Yes.
You need to distort your lattice in the POSCAR file and then run VASP normally.

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