Reproducibility in density functional theory calculations of solids. (2016)

First Author: Lejaeghere K

Attributed to:  Collaborative Computational Project in NMR Crystallography funded by EPSRC

Abstract

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1126/science.aad3000

PubMed Identifier: 27013736

Publication URI: http://europepmc.org/abstract/MED/27013736

Type: Journal Article/Review

Volume: 351

Parent Publication: Science (New York, N.Y.)

Issue: 6280

ISSN: 0036-8075