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Persistent URL	http://purl.org/net/epubs/work/66675735
Record Status	Checked
Record Id	66675735
Title	Automatic generation of input files with optimised k -point meshes for Quantum ESPRESSO self-consistent field single-point total energy calculations
Contributors	E Patyukova (STFC Daresbury Lab.), J Yin (STFC Daresbury Lab.), S Basak (STFC Rutherford Appleton Lab.), S Pinilla (STFC Rutherford Appleton Lab.), AM Elena (STFC Daresbury Lab.), G Teobaldi (STFC Rutherford Appleton Lab.)
Abstract
Organisation	STFC , SCI-COMP
Keywords
Funding Information	EPSRC (EP/Z530657/1)
Related Research Object(s):
Licence Information:	Creative Commons Attribution 3.0 Unported (CC BY 3.0)
Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	Digit Discov (2026).	doi:10.1039/D5DD00565E		2026