Calculation of ground state of Aluminum using ELK
Calculation of ground state of Aluminum using ELK.
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Elk is an all-electron full-potential linearized augmented-plane-wave (FP-LAPW) code for determining the properties of crystalline solids. It was developed originally at the Karl-Franzens-Universit¨at Graz as part of the EXCITING EU Research and Training Network project. The guiding philosophy during the implementation of the code was to keep it as simple as possible for both users and developers without compromising on its capabilities.
Using Elk on Kogence
For more details see Elk FP-LAPW .
VESTA is a 3D visualization program for structural models, volumetric data such as electron/nuclear densities, and crystal morphologies. VESTA is a successor to two 3D visualization programs, VICS and VEND, in the VENUS (Visualization of Electron/NUclear and Structures) software package.
For more details see VESTA .
Following are some related models available for cloning/copying by anyone:
- 3D plot of the charge density of diamond using ELK, Octave an VESTA
- 3D plot of the charge density of diamond using ELK and OpenDX
- 3D plot of the charge density of diamond using ELK and OpenDX sdClone
- A 3D plot of the charge density of diamond using ELK and OpenDX sdClone
- BSE optical spectrum of lithium fluoride
- BSE optical spectrum of silicon
- Band structure of Au including spin-orbit coupling effect
- Calculation of ground state of Aluminum using ELK
- Calculation of ground state of Aluminum using ELK sdCLone
- Compton scattering and electron momentum density (EMD) plot for ferromagnetic Ni
Click on the category links at the bottom of this page to navigate to a full list of simulation models in similar subject area or similar computational methodology.