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Title: Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional

Authors:
; ;
Publication Date:
Grant/Contract Number:
SC0012575
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 9; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1429560

Shahi, Chandra, Sun, Jianwei, and Perdew, John P. Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional. United States: N. p., Web. doi:10.1103/PhysRevB.97.094111.
Shahi, Chandra, Sun, Jianwei, & Perdew, John P. Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional. United States. doi:10.1103/PhysRevB.97.094111.
Shahi, Chandra, Sun, Jianwei, and Perdew, John P. 2018. "Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional". United States. doi:10.1103/PhysRevB.97.094111.
@article{osti_1429560,
title = {Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional},
author = {Shahi, Chandra and Sun, Jianwei and Perdew, John P.},
abstractNote = {},
doi = {10.1103/PhysRevB.97.094111},
journal = {Physical Review B},
number = 9,
volume = 97,
place = {United States},
year = {2018},
month = {3}
}

Works referenced in this record:

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From ultrasoft pseudopotentials to the projector augmented-wave method
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Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

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