Re: BSE and IPA
Posted: Thu Jan 05, 2023 3:19 pm
Dear Niloufar,
you can convert the kpoints from rlu (reciprocal lattice units) to Cartesian coordinates.
You can wither do it by yourself reading the lattice parameter from the setup report, or print the list of k points using the ypp utility.
setting in ypp.in:
cooOut= "cc"
and inserting the list of k points you want to convert in:
%GWKpts namelist.
Best,
Daniele
you can convert the kpoints from rlu (reciprocal lattice units) to Cartesian coordinates.
You can wither do it by yourself reading the lattice parameter from the setup report, or print the list of k points using the ypp utility.
Code: Select all
ypp -k k
cooOut= "cc"
and inserting the list of k points you want to convert in:
%GWKpts namelist.
Best,
Daniele