Friday morning October 31, nanoHUB tools and home directories will be unavailable from 6 AM to noon (eastern time); we're getting a new file server! All tool sessions will be lost. Also, the web site will be unavailable for about 15 minutes sometime between 8-9 AM. close

Support

Support Options

Submit a Support Ticket

 

SIESTA

By Lucas Wagner1, Jeffrey C Grossman2, Joe Ringgenberg3, Daniel Richards3, Alexander S McLeod4, Eric Isaacs5, Jeffrey B. Neaton5

1. Massachusetts Institute of Technology (MIT) 2. Massachusetts Institute of Technology 3. University of California, Berkeley 4. University of California - Berkeley 5. Lawrence Berkeley National Laboratory

Use SIESTA to perform electronic structure calculations

Launch Tool

You must login before you can run this tool.

Version 2.0.1 - published on 01 Feb 2011

doi:10.4231/D3N87300P cite this

This tool is closed source.

View All Supporting Documents

Category

Tools

Published on

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:

  • Lucas Wagner; Jeffrey C Grossman; Joe Ringgenberg; Daniel Richards; Alexander S McLeod; Eric Isaacs; Jeffrey B. Neaton (2011), "SIESTA," http://nanohub.org/resources/siesta. (DOI: 10.4231/D3N87300P).

    BibTex | EndNote

Tags

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.