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Title: Discovering minimum energy pathways via distortion symmetry groups

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 98 Journal Issue: 8; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1463050

Munro, Jason M., Akamatsu, Hirofumi, Padmanabhan, Haricharan, Liu, Vincent S., Shi, Yin, Chen, Long-Qing, VanLeeuwen, Brian K., Dabo, Ismaila, and Gopalan, Venkatraman. Discovering minimum energy pathways via distortion symmetry groups. United States: N. p., Web. doi:10.1103/PhysRevB.98.085107.
Munro, Jason M., Akamatsu, Hirofumi, Padmanabhan, Haricharan, Liu, Vincent S., Shi, Yin, Chen, Long-Qing, VanLeeuwen, Brian K., Dabo, Ismaila, & Gopalan, Venkatraman. Discovering minimum energy pathways via distortion symmetry groups. United States. doi:10.1103/PhysRevB.98.085107.
Munro, Jason M., Akamatsu, Hirofumi, Padmanabhan, Haricharan, Liu, Vincent S., Shi, Yin, Chen, Long-Qing, VanLeeuwen, Brian K., Dabo, Ismaila, and Gopalan, Venkatraman. 2018. "Discovering minimum energy pathways via distortion symmetry groups". United States. doi:10.1103/PhysRevB.98.085107.
@article{osti_1463050,
title = {Discovering minimum energy pathways via distortion symmetry groups},
author = {Munro, Jason M. and Akamatsu, Hirofumi and Padmanabhan, Haricharan and Liu, Vincent S. and Shi, Yin and Chen, Long-Qing and VanLeeuwen, Brian K. and Dabo, Ismaila and Gopalan, Venkatraman},
abstractNote = {},
doi = {10.1103/PhysRevB.98.085107},
journal = {Physical Review B},
number = 8,
volume = 98,
place = {United States},
year = {2018},
month = {8}
}

Works referenced in this record:

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996