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3D plot of the charge density of diamond using ELK and OpenDX

ELK simulation of spatial distribution of electronic charge density in diamond. 3D distribution can then be plotted using OpenDX.


Model File Tree

Simulator(s) Used

Elk-Logo.png

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

To see detailed step-by-step instructions on how to use Elk on Kogence free cloud supercomputing platform [click here].

For more details see Elk FP-LAPW.

List of Other Elk Simulation Models on Kogence

Following are some more recently added public Elk models available for cloning/copying by anyone:


See the full list of public Elk models available for cloning/copying here: Category:Elk FP-LAPW. Alternatively, you could also click on the category links at the bottom of this page to navigate to other simulation models in similar subject are or similar computational methodology.


Model New Results

Software Used

VESTA

Vesta-logo.png

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 .

Octave

Octave.png

GNU Octave is software featuring a high-level programming language, primarily intended for numerical computations. Octave helps in solving linear and nonlinear problems numerically, and for performing other numerical experiments using a language that is mostly compatible with Matlab. It may also be used as a batch-oriented language. Since it is part of the GNU Project, it is free software under the terms of the GNU General Public License.



For more details see Octave .

Elk FP-LAPW

Elk-Logo.png

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

To see detailed step-by-step instructions on how to use Elk on Kogence free cloud supercomputing platform [click here].

For more details see Elk FP-LAPW .

Related Models

Following are some related models available for cloning/copying by anyone:

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.