A two-phase Hessian approach improves the DFT relaxation of slabs. (2018)

First Author: Davies PAG
Attributed to:  Tier 2 Hub in Materials and Molecular Modelling funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1088/1361-648x/aacd79

PubMed Identifier: 29916821

Publication URI: http://europepmc.org/abstract/MED/29916821

Type: Journal Article/Review

Volume: 30

Parent Publication: Journal of physics. Condensed matter : an Institute of Physics journal

Issue: 31

ISSN: 0953-8984