[Pw_forum] Problem with high accuracy and parallel ph.x

[Mohammad Saghayezhian]

Dear All,

When I perform the scf calculation with high kp (45 45 45) and cut-off (42
Ry), the parallel execution ph.x fails and stops (q-points in ph.in: 4 4 3).
but lowering the kp (15 15 15) and cut-off (22 Ry) solves the problem and
the parallel ph.x goes on without any problem. Does this mean that I can not
calculate phonon spectra with this accuracy?
Also, the calculations are for metals.


> Dear PWscf users,
>
> I have encountered a problem during parallel execution of ph,x
>
> Actually the parallel pw,x performs good and without any error, but ph.x
does not work,
> I lowered the kpoints and kinetic-energy cut-off and the problem solved
and ph.x works properly.
> I need high accuracy in my calculation, so I cannot lower the kpoints and
cut-off.
> How can I perform parallel ph.x without lowering the computational
parameters?
>
> Any help would be appreciated.
> Thanks.
>
> ------------------------------
-------------------------------------
> Mohammad Saghayezhian
>
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> Pw_forum at pwscf.org
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---
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