[Pw_forum] Calculation of dynamical matrices
henry odhiambo
henod2001 at yahoo.com
Tue Mar 20 07:23:23 CET 2012
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
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