Article (Scientific journals)
The psml format and library for norm-conserving pseudopotential data curation and interoperability
Garcia, Alberto; Verstraete, Matthieu; Pouillon, Yann et al.
2018In Computer Physics Communications
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Keywords :
Pseudopotential
Research center :
CESAM - Complex and Entangled Systems from Atoms to Materials - ULiège
Disciplines :
Physics
Author, co-author :
Garcia, Alberto
Verstraete, Matthieu  ;  Université de Liège - ULiège > Département de physique > Physique des matériaux et nanostructures
Pouillon, Yann
Junquera, Javier
Language :
English
Title :
The psml format and library for norm-conserving pseudopotential data curation and interoperability
Publication date :
2018
Journal title :
Computer Physics Communications
ISSN :
0010-4655
eISSN :
1879-2944
Publisher :
Elsevier Science, Amsterdam, Netherlands
Peer reviewed :
Peer Reviewed verified by ORBi
Tags :
CÉCI : Consortium des Équipements de Calcul Intensif
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