Blöchl's paper: tetrahedron versus Monkhorst-Pack

[lahaye]

Hi,

This is a kind of general question, possibly even a beginner's question.
The topic confuses me in relation to using VASP and I hope that someone
can clear this up for me on this forum list.

The paper on the improved tetrahedron method [Phys.Rev.B 49 (1994)
16223] by Blöchl, Jepsen & Andersen, states that Monkhorst & Pack is an
alternative method to tetrahedron, where Monkhorst/Pack applies to
insulators and semiconductors only.

Is it then still appropriate to choose a Monkhorst-Pack KPOINTS input
when using corrected tetrahedron method for ISMEAR ?


Also:
when choosing ISMEAR=-5 (corrected tetrahedron), is the value of
SIGMA then irrelevant, as there is no talking about smearing width for
tetrahedron method.

I hope someone can shine some light on this issue.
Thank you.

Rob.

[admin]

1) yes, but choose the k-mesh such that
--) the Gamma point is included )most easily done by taking odd meshes
--) your k-points cover the Brillouin zone as completely as possible