Article (Scientific journals)
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
Setten, M. J. Van; Giantomassi, M.; Bousquet, Eric et al.
2018In Computer Physics Communications
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Keywords :
First-principles calculation; Electronic structure; Density functional theory; Pseudopotential
Disciplines :
Physics
Author, co-author :
Setten, M. J. Van
Giantomassi, M.
Bousquet, Eric  ;  Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Verstraete, Matthieu  ;  Université de Liège - ULiège > Département de physique > Physique des matériaux et nanostructures
Hamann, D. R.
Gonze, X.
Rignanese, G.-M.
Language :
English
Title :
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
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
Available on ORBi :
since 22 February 2018

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