Dielectric matrix scheme for fast convergence in self-consistent electronic-structure calculations
- 15 March 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 25 (6) , 4260-4262
- https://doi.org/10.1103/physrevb.25.4260
Abstract
A scheme is devised which drastically reduces the number of iterations required to reach self-consistency in electronic-structure calculations. This scheme is particularly helpful in calculations for systems with large unit cells.Keywords
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