<div dir="ltr">Dear all,<br>
<br>
1) It is a question about convergence study of phonon frequencies.<br>
Suppose that one performs a convergence study for just one q-point
(say Gamma for example),<br>
is it reasonable to expect that results will be reliable for other q-points ?<br>
<br>
2)<br>
this is a comment about the input card "dos" in the matdyn.f90 file:<br>
<br>
! dos if .true. calculate phonon Density of States (DOS)<br>
! using tetrahedra and a uniform q-point grid (see below)<br>
! NB: may not work properly in noncubic materials<br>
<br>
Does the last line mean :<br>
(a) Do not use it with non cubic symmetries.<br>
(b) One may use it, but results should be carrefuly checked for eventual problems. In this case, wath kind of problems one may expect.<br>
<br>
thank you for comments and suggestions.<br>
regards.<br clear="all"><br>-- <br><div dir="ltr">Hichem Bouderba<br>département de physique<br>Université de Batna<br>Algérie<br></div><br>
</div>