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SIESTA
Use SIESTA to perform electronic structure calculations
Version 2.0.1 - published on 01 Feb 2011
DOI: 10254/nanohub-r4136.3 cite this
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| Category | Tools |
|---|---|
| Abstract | SIESTA (Spanish Initiative for Electronic Structure Simulations with Thousands of Atoms) is a fast electronic structure program that uses a local basis set. It can produce band structures and minimum energy geometries, and can perform first-principles molecular dynamics calculations. This tool allows general-purpose computations to be done on nanoHUB’s servers. |
| Powered by | SIESTA: http://www.icmab.es/siesta/ |
| Cite this work | Researchers should cite this work as follows: |
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