Elastic constants and phonon frequencies of Si calculated by a fast full-potential linear-muffin-tin-orbital method.

Methfessel M.

A new approach for including full-potential terms in a linear-muffin-tin-orbital calculation is presented. The implementation for crystals leads to a method which is at the same time fast and accurate. Calculated elastic constants and phonon frequencies for Si agree well with experiment.

Physical Review B, 38 1537-40, 1988.

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