[Pw_forum] k point selection.
ylli at theory.issp.ac.cn
Tue Mar 11 13:09:31 CET 2008
Dear all users,
Now I'm learing to calculate the energy band or phonon dispersion by using
PWSCF code. For example 06, I got a different result by using Xcrysden
generating k points path (selecting the same high symmetry point as the
matdyn.in file in example 06). Now I want to know how to generate the
accurate k points path.
By the way, if one of you can help me generate a k point path about
hexagonal crystal with P63/mcc sacegroup(No. 194), it's my pleasure. I try
to get it myself, but fail to date. If Ok, please email the k point file
Thanks in advance.
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