<div dir="ltr">Hi,<br><br>I want to perform a phonon calculation using QE 4.1.2. The scf calculation runs properly, but when I run ph.x<br>it does not go forward and stuck in this step; <br> <br><br> Program PHONON v.4.1.2 starts ...<br>
Today is 28Jun2011 at 10: 0:21 <br><br> Parallel version (MPI)<br><br> Number of processors in use: 16<br> K-points division: npool = 2<br> R & G space division: proc/pool = 8<br>
<br> Ultrasoft (Vanderbilt) Pseudopotentials<br><br>The ph,in file is fine and runs well on other computres, here is the ph,in:<br><br clear="all">phonons<br>&inputph<br> tr2_ph=1.0d-14,<br> prefix='Au',<br>
ldisp=.true.,<br> nq1=4 , nq2=4 , nq3=4,<br> amass(1)=196.96655,<br> outdir='/home-fs4/hp0070/data-stress/Au/LDA/FccC4.45/phonon/',<br> fildyn='Au.dyn',<br>/<br><br>Do you have any idea why this happens?<br>
<br>any help would be appreciated. <br>thanks a lot<br><br> <br>-------------------------------------------------------------------<br>Mohammad Saghayezhian<br>Computational Condensed Matter Research Lab<br>Physics Department, Isfahan University of Technology, Isfahan, Iran<br>
<br>Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746 <br>-------------------------------------------------------------------<br><br>
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