DFT calculations of solids with LAPW and WIEN2k
Top Cited Papers
- 1 December 2003
- journal article
- Published by Elsevier in Journal of Solid State Chemistry
- Vol. 176 (2) , 319-328
- https://doi.org/10.1016/s0022-4596(03)00213-5
Abstract
No abstract availableThis publication has 38 references indexed in Scilit:
- Full-potential, linearized augmented plane wave programs for crystalline systemsPublished by Elsevier ,2002
- Electronic structure calculations of solids using the WIEN2k package for material sciencesComputer Physics Communications, 2002
- Electronic structure of the sodium and potassium electrosodalitesPhysical Review B, 2001
- Electronic structure and chemical bonding effects upon the bcc tophase transition:Ab initiostudy of Y, Zr, Nb, and MoPhysical Review B, 2000
- Rare earth borocarbides: Electronic structure calculations and electric field gradientsPhysical Review B, 2000
- 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
- Inhomogeneous Electron GasPhysical Review B, 1964