@# KKRtags: VORONOI geometry
LATTIX99 GENERATES THE REAL SPACE AND RECIPROCAL LATTICES. BRAVAIS(I,J) ARE BASIS VECTORS, WITH I=X,Y,Z AND J=A,B,C. RECIPROCAL SPACE VECTORS ARE IN UNITS OF 2*PI/A0. RR ARE THE DIRECT SPACE VECTORS. NR+1 IS THE NUMBER OF DIRECT SPACE VECTORS CREATED (STRUCTURE DEPENDENT OUTPUT).
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
logical | :: | LINTERFACE | ||||
real(kind=8) | :: | ALATC | ||||
real(kind=8) | :: | BRAVAIS(3,3) | ||||
real | :: | RECBV | ||||
real | :: | RR | ||||
integer | :: | NR | ||||
real(kind=8) | :: | VOLUC |