Basic question about structure
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KWH
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Basic question about structure
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.
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martin.schlipf
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Re: Basic question about structure
The information about the crystal is contained in the POSCAR file.
Martin Schlipf
VASP developer