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