[Pw_forum] Getting DOS at Fermi Energy

[Paolo Giannozzi]

Paul M. Grant wrote:

> BTW, have you had a chance to look
> at the k-points file for aluminum I sent?

it looks like a uniform unshifted 12x12x12 grid in a simple
cubic lattice. You should get it (or an equivalent one)
directly from pw.x using options nosym=.true., noinv=.true.
(the latter is undocumented: removes q=>-q symmetry) and
K_POINT {automatic}
12 12 12 0 0 0
or else, from kpoints.x, answering 'T' to the question
   write all k? [f] >>
I am not aware of any limitation to the simple cubic grid,
but this should be asked to the authors of epsilon.x

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy