Bug#901060: lammps: generate irreducible q-points with spglib

Andrius Merkys andrius.merkys at gmail.com
Fri Jun 8 14:48:02 BST 2018


Package: lammps
Severity: wishlist

lammps has an optional feature to generate irreducible q-points set via spglib, which is now packaged in Debian. I attach a patch to enable this feature. lammps must build-depend on libsymspg-dev in order to use it.

Best,
Andrius

-- 
Andrius Merkys
Vilnius University Institute of Biotechnology, SaulÄ—tekio al. 7, room V325
LT-10257 Vilnius, Lithuania

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