- Norm conserving pseudopotentials for Si and C
- Plane wave energy cutoff 35 Ry
- LDA Ceperley-Alder exchange-correlation
SiC512 benchmark
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SiC512 benchmark
The SiC512 benchmark computes the electronic ground state of a 512-atom 3C-SiC (cubic) bulk structure. The full description of the benchmark including input files is given at http://qboxcode.org/trac/wiki/SiC512. This benchmark is used as a test of the basic functionality of Qbox. The main parameters of the calculations are: