Calculation of atomic forces using the linearized-augmented-plane-wave method
- 15 September 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 50 (12) , 8846-8848
- https://doi.org/10.1103/physrevb.50.8846
Abstract
The force formula of Soler and Williams is implemented in the full-potential linearized-augmented-plane-wave program wien93. The feasibility and accuracy of the method is demonstrated by calculations for the H-point phonon in Mo and Li and for the Γ-point phonon in Si and diamond.Keywords
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