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- Fri Jul 04, 2014 5:04 pm
- Forum: Ground state
- Topic: k-point grid
- Replies: 0
- Views: 1638
k-point grid
Hello, I am trying model an alumina surface. Its space group (R-3c) has two representations: the rhombohedrical (primitive with 10 atoms) and the hexagonal (non-primitive with 30 atoms). Because I want the surface (001) I need the hexagonal representacion. First, I tried to study the convergence for...