[Pw_forum] matdyn.x warning message

[Paolo Giannozzi]

On Aug 21, 2009, at 9:28 , Paolo Giannozzi wrote:

> On Aug 20, 2009, at 21:03 , Mikiyas Tsegaye wrote:
>
>> and the acoustic and optical branches don't touch at the  K-point
>
> they do. Some time ago I heard a similar claim. I verified that they
> touch at K.

correcting myself: actually I verified that valence and conduction
bands touch at K, not the behavior of phonon branches. Anyway:
in http://www.fisica/uniud/it/~giannozz/public/ there are two files,
graph0.tar.gz and graph1.tar.gz, containing a reduced version of
your data (c/a=10, default ecutrho, smaller k- and q-point grids),
with two equivalent cell descriptions (graph1 has all symmetries,
graph0 is missing some) and what I think are the respective
Gamma-K-M-Gamma lines (you know that they depend upon
your lattice description, don't you?). I don't see anything wrong.

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222