CASTEP
Crambin
Crambin is a protein residue from an Abyssinian cabbage. This benchmark comprises 1280 atoms of the residue, in a fairly large simulation cell (approximately 40 A x 18 A x 20 A). The Brillouin zone is sampled only at the gamma-point.
Input files
- crambin.tgz Input cell and param files, plus pseudopotentials

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