Oak Ridge WangLandau (OWL)
Abstract
The code is a set of firstprinciples based thermodynamic properties calculations for materials properties at finite temperature. It provides a collection of commonly used Monte Carlo algorithms, interfaced with a few external codes that carry out density functional theory calculations, such as Quantum Espresso and Local Selfconsistent Multiple Scattering. The code provides high accuracy thermodynamic calculations that are comparable to realworld materials properties.
 Authors:

 Oak Ridge National Laboratory
 Publication Date:
 Research Org.:
 Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
 Sponsoring Org.:
 USDOE
 OSTI Identifier:
 1510020
 Report Number(s):
 OWL; 005845MLTPL00
 DOE Contract Number:
 AC0500OR22725
 Resource Type:
 Software
 Software Revision:
 00
 Software Package Number:
 005845
 Software CPU:
 MLTPL
 Open Source:
 Yes
 Source Code Available:
 Yes
 Country of Publication:
 United States
Citation Formats
Li, Ying Wai, and Pitike, Krishna Chaitanya. Oak Ridge WangLandau (OWL).
Computer software. https://www.osti.gov//servlets/purl/1510020. Vers. 00. USDOE. 1 Jan. 2019.
Web.
Li, Ying Wai, & Pitike, Krishna Chaitanya. (2019, January 1). Oak Ridge WangLandau (OWL) (Version 00) [Computer software]. https://www.osti.gov//servlets/purl/1510020.
Li, Ying Wai, and Pitike, Krishna Chaitanya. Oak Ridge WangLandau (OWL).
Computer software. Version 00. January 1, 2019. https://www.osti.gov//servlets/purl/1510020.
@misc{osti_1510020,
title = {Oak Ridge WangLandau (OWL), Version 00},
author = {Li, Ying Wai and Pitike, Krishna Chaitanya},
abstractNote = {The code is a set of firstprinciples based thermodynamic properties calculations for materials properties at finite temperature. It provides a collection of commonly used Monte Carlo algorithms, interfaced with a few external codes that carry out density functional theory calculations, such as Quantum Espresso and Local Selfconsistent Multiple Scattering. The code provides high accuracy thermodynamic calculations that are comparable to realworld materials properties.},
url = {https://www.osti.gov//servlets/purl/1510020},
doi = {},
year = {2019},
month = {1},
note =
}
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