Electronic structure calculations of solids using the WIEN2k package for material sciences
Top Cited Papers
- 1 August 2002
- journal article
- Published by Elsevier BV in Computer Physics Communications
- Vol. 147 (1-2), 71-76
- https://doi.org/10.1016/s0010-4655(02)00206-0
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- Electronic structure of the mixed valence systemPhysical Review B, 2001
- Improving the efficiency of FP-LAPW calculationsComputer Physics Communications, 2000
- Force calculation and atomic-structure optimization for the full-potential linearized augmented plane-wave code WIENComputer Physics Communications, 1996
- Electric-field-gradient calculations for systems with large extended-core-state contributionsPhysical Review B, 1992
- Full-potential, linearized augmented plane wave programs for crystalline systemsComputer Physics Communications, 1990
- Total-energy all-electron density functional method for bulk solids and surfacesPhysical Review B, 1982
- Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces:moleculePhysical Review B, 1981
- Linear methods in band theoryPhysical Review B, 1975
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Intensities of X-Ray Reflections from Bismuth Crystals Between 25° and 530° Abs.Physical Review B, 1937