Bulk Modulus and Lattice Parameter Error of Element Crystals.
Al
functional | Bulkmodulus error (%) | Lattice parameter error (%) |
---|---|---|
LDA | - | - |
PBE | - | - |
PBE SOL | - | - |
Be
functional | Bulkmodulus error (%) | Lattice parameter error (%) |
---|---|---|
LDA | - | - |
PBE | - | - |
PBE SOL | - | - |
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page revision: 22, last edited: 23 Mar 2011 09:07