Bravais lattices#

Wulfric implements two conventions for the definition of the high-symmetry points in reciprocal space and recommended k-paths

"HPKOT" as defined in [1]

In this work authors defined a set of high-symmetry points in reciprocal space and recommended k-paths for each "extended Bravais lattice symbol". Therefore, we provide in total 29 examples for each extended Bravais lattice symbol.
"SC" as in [2]

In this work authors defined a set of high-symmetry points in reciprocal space and recommended k-paths for each variation of Bravais lattice. We provide examples for each of 25 lattice variations.

Below is the table that summarizes lattice variations and extended lattice symbols for each of the 14 Bravais lattices.

Bravais lattice	HPKOT	SC
Cubic (cP)	cP1, cP2	CUB
Face-centered cubic (cF)	cF1, cF2	FCC
Body-centered cubic (cI)	cI1	BCC
Tetragonal (tP)	tP1	TET
Body-centered tetragonal (tI)	tI1, tI2	BCT1, BCT2
Orthorhombic (oP)	oP1	ORC
Face-centered orthorhombic (oF)	oF1, oF2, oF3	ORCF1, ORCF2, ORCF3
Body-centered orthorhombic (oI)	oI1, oI2, oI3	ORCI
Base-centered orthorhombic (oS)	oC1, oC2, oA1, oA2	ORCC
Hexagonal (hP)	hP1, hP2	HEX
Rhombohedral (hR)	hR1, hR2	RHL1, RHL2
Monoclinic (mP)	mP1	MCL
Base-centered monoclinic (mS)	mC1, mC2, mC3	MCLC1, MCLC2, MCLC3, MCLC4, MCLC5
Triclinic (aP)	aP2, aP3	TRI1a, TRI2a, TRI1b, TRI2b,

Note

The images are interactive.

Hinuma, Pizzi, Kumagai, Oba, Tanaka (HPKOT)#

Reference

POSCAR files with the crystal structure for these examples are taken from the seekpath repository with the permission of its authors. We refer you to seekpath for the original copies of the files and the license for those. To read more about the extended Bravais lattice symbols, chosen high-symmetry points and k-paths we refer you to the HPKOT paper.

Setyawan and Curtarolo (SC)#

In the examples of SC convention we use cells as defined in wulfric.cell.sc_get_example() with one artificial atom dict(positions=[[0, 0, 0]], spglib_types=[1]).

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