Basic question about structure
Moderators: Global Moderator, Moderator
-
KWH
- Jr. Member
- Posts: 52
- Joined: Fri Feb 09, 2018 2:05 am
- License Nr.: 5-1063
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.
-
martin.schlipf
- Global Moderator
- Posts: 639
- Joined: Fri Nov 08, 2019 7:18 am
Re: Basic question about structure
The information about the crystal is contained in the POSCAR file.
Martin Schlipf
VASP developer