Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf
1 PublicationSoftware publication: Automated coordination corrected enthalpies with AFLOW-CCE
Friedrich, R.; Esters, M.; Oses, C.; Ki, S.; Brenner, M. J.; Hicks, D.; Mehl, M. J.; Toher, C.; Curtarolo, S.
The implementation of the coordination corrected enthalpies (CCE) method is available via the AFLOW software for materials discovery as the AFLOW-CCE module.
Keywords: materials themrodynamics; enthalpy correction; materials design
Related publications
- DOI: 10.1103/PhysRevMaterials.5.043803 references this (Id 33011) publication
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Automated coordination corrected enthalpies with AFLOW-CCE
ROBIS: 33006 has used this (Id 33011) publication of HZDR-primary research data
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Software in external data repository
Publication year 2021
Programming language: C++
System requirements: Unix
License: GNU General Public License version 3
Hosted on AFLOW: Link to location
Permalink: https://www.hzdr.de/publications/Publ-33011