skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Oak Ridge Wang-Landau (OWL)

Abstract

The code is a set of first-principles 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 Self-consistent Multiple Scattering. The code provides high accuracy thermodynamic calculations that are comparable to real-world materials properties.

Authors:
 [1];  [1]
  1. 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:  
AC05-00OR22725
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 Wang-Landau (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 Wang-Landau (OWL) (Version 00) [Computer software]. https://www.osti.gov//servlets/purl/1510020.
Li, Ying Wai, and Pitike, Krishna Chaitanya. Oak Ridge Wang-Landau (OWL). Computer software. Version 00. January 1, 2019. https://www.osti.gov//servlets/purl/1510020.
@misc{osti_1510020,
title = {Oak Ridge Wang-Landau (OWL), Version 00},
author = {Li, Ying Wai and Pitike, Krishna Chaitanya},
abstractNote = {The code is a set of first-principles 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 Self-consistent Multiple Scattering. The code provides high accuracy thermodynamic calculations that are comparable to real-world materials properties.},
url = {https://www.osti.gov//servlets/purl/1510020},
doi = {},
year = {2019},
month = {1},
note =
}