Hi all,
Do you know about any code that gives the identical sites or atoms in a crystal? If it makes Schottky defects with a given substitution atom, that would be even better. I know there is aconvasp in Curtarolo's group website which doesn't support more than 50 atoms.
Thanks a lot!
Identical sites-atoms in POSCAR?
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kayahan
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Identical sites-atoms in POSCAR?
Last edited by kayahan on Wed Apr 24, 2013 3:58 pm, edited 1 time in total.
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support_vasp
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Re: Identical sites-atoms in POSCAR?
Hi,
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