Dear Wien2k users, I am trying to generate a structure of a compound with
space group No. 187 (P-6m2) using WIEN2k_07.3 (Release 13/8/2007). The
compound has hexagonal primitive unit cell. So the coordinates are in
hexagonal setting as obtained in the literatures. But after generating the
structu
A guess, you need to use positions in higher precision, e.g. 0. not
0.
You need to provide more information if it is not this, specifically the
struct file.
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Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www
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