htesp.kmesh_nscf

Module to generate k-points

Functions

main([argv])

Main function for generating k-points.

htesp.kmesh_nscf.main(argv=None)[source]

Main function for generating k-points.

FIX(21): main is a callable top-level entry point; it accepts an explicit argument list and returns an exit code instead of always calling sys.exit(), so importing and calling it does not kill the caller.

Usage:

n1 n2 n3 [wan] n1 - divisions along 1st recip vector n2 - divisions along 2nd recip vector n3 - divisions along 3rd recip vector wan - omit the k-point weight (optional)