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- Fri Jun 15, 2018 4:30 pm
- Forum: Ground state
- Topic: Write a structure to the input file
- Replies: 1
- Views: 2183
Write a structure to the input file
Dear ABINIT developers and users! How to write in the input file a structure that has two or three atoms of different sort in one crystallographic position (take into account the degree of filling of crystallographic positions). Cross-reference of the coordinates of each atom leads to an error: chki...