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Calculation of ground state of Aluminum using ELK

Calculation of ground state of Aluminum using ELK.


Model File Tree

Software Used

Elk FP-LAPW

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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

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 .

VESTA

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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 .

Results

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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.

See the full list of public Elk models available for cloning/copying here: Category:Elk FP-LAPW. See the full list of public VESTA models available for cloning/copying here: Category:VESTA.