On Thu, 2012-02-16 at 10:01 +0100, Alexandre Lebon wrote: > Dear all, > > I am trying to construct the phonon dispersion of a fcc > material using px.x and ph.x and finnaly q2r.x and matdyn.x > I get an output in .xml format au.dyn4.xml. This is unfortunately > not readable for q2r.x. I guess the problem is at the level > of ph.x >
q2r.x can read .xml files. You just write fildyn='au.dyn.xml' in the input of q2r.x. It seems to work on my PC. Which is the error message in your case? Andrea > How can I avoid to produce .xml output from ph.x? This is > actually not documented in the INPUT_PH.html page. > > > Thanks in advance for any hints > > Alexandre > -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it
