Page 1 of 1

IBZKPT file

Posted: Mon Dec 03, 2007 5:34 am
by jhlee
Dear VASP developers/uders,

When tetrahedron method is used, 'tetrahedron connection table' is written in IBZKPT file. Would anyone explain the meaning of this 'tetrahedron connection table'?

Thank you.

IBZKPT file

Posted: Mon Dec 03, 2007 5:48 pm
by Danny
it is the list of tetrahedra build with your k-point set.
first number is the weight, second to fifth are the 4 vertices of each tetrahedron.

Keep in mind that the indices are for irreducible K-points,
So for a kpointfile:
2x2x2 Momkhorstpack, with IRBZKPT 1: 0.5 0.5 0.5
you will probably see 6 1 1 1 1 which tells you that a cube can be split in 6 tetrahedra ;-)
Danny