If neither of the suggestions in the link helped, the last resort is to
increase the value of the parameter nx in PW/src/wsweight.f90
In extremely rare cacse the default nx=2 may not be enough to find the
correct Wigner-Seitz cell (the Brillouin zone actually, in this case)
try to set nx=3 like this:
parameter (eps=1.0d-6,nx=3)
and recompile phonon
hth
p.s. if you send us the set of dynamical matrix we can have a proper
look instead of guessing
On 03/21/2018 09:16 PM, Hari Paudyal wrote:
Dear PWSCF users/experts,
While calculating phonon for few different pressures (for instance, 26
GPa, 28 GPa, 30 GPa, 32GPa ) of my system, first I performed q2r.x
calculation and it successfully read force constant from the file. After
that when I was performing matdyn.x calculation, I found the following
error only for 30 GPa Pressure. When I did the same calculations for
other different pressures mentioned above, everything works well.
I also tried some possible solutions from this link
http://qe-forge.org/pipermail/pw_forum/2012-August/099250.html
<http://qe-forge.org/pipermail/pw_forum/2012-August/099250.html>, but I
still found the same problem. Could you please help me to understand
what's the problem?
Thank you.
Hari Paudyal
SUNY Binghamton, USA.
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Lorenzo Paulatto - Paris
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