Hello every one,
?
I am trying to calculate dynamical matrices using the code ph.x for?the input
file bellow
?
phonons of gst
?&inputph
?tr2_ph=1.0d-14
?ldisp=.true.,
?nq1=4, nq2=4, nq3=4,
?amass (1)=72.61,
?amass (2)=121.76,
?amass (3)=127.60,
?prefix='gst',
?outdir='./',
?fildyn='dyn'
?
I only get the dynamical matrices?dyn1 and?dyn2 whereas in the QE
examples,?they should be from dyn1 to dyn 8. Morover, when I try calculating
IFC's in real space using the code q2r.x, I dont get any output. What could be
the problem??
?
Henry Otunga
Dept. of Physics
Maseno University
Kenya
?
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20120319/3e0bd5f1/attachment.htm
