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Basic question about structure

Posted: Thu Jan 19, 2023 10:34 pm
by KWH
I have a very basic question. How is it these calculations can work without indicating which atom is which? I get that the POTCAR file indicates what atoms are present, but not how many and in which positions.

Re: Basic question about structure

Posted: Fri Jan 20, 2023 6:36 am
by martin.schlipf
The information about the crystal is contained in the POSCAR file.