[Pw_forum] systems with more than 10 types of atoms per unit cell

Yundi Quan jsqdmg at gmail.com
Mon Oct 28 08:57:25 CET 2013


Is it possible to calculate systems with more than 10 types of atoms per
unit cell? The compound that I'm interested in has 4 atoms per unit cell.
However, due to magnetic ordering, the unit cell become 4 times larger.
Therefore, there are 16 non-equivalent atoms per unit cell.
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