Error allocating epmatwe

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waltergarcia
Posts: 1
Joined: Wed May 24, 2023 9:50 am
Affiliation: https://forum.epw-code.org/

Error allocating epmatwe

Post by waltergarcia »

Dear all,

I am trying to calculate the superconducting gap of a system. EPW stops after:

Computes the analytic long-range interaction for polar materials [lpolar]

Use zone-centred Wigner-Seitz cells
Number of WS vectors for electrons 1333
Number of WS vectors for phonons 157
Number of WS vectors for electron-phonon 157
Maximum number of cores for efficient parallelization 1413
with the error:

" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 85
from ephwann_shuffle : error # 1
Error allocating epmatwp
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%"

The parameters of the input file:

elph = .true.
kmaps = .false.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
ephwrite=.true.
.
.
.
iverbosity=0

nkf1 = 24
nkf2 = 24
nkf3 = 1

nqf1 = 24
nqf2 = 24
nqf3 = 1

mp_mesh_k=.true.

nk1 = 36
nk2 = 36
nk3 = 1

nq1 = 12
nq2 = 12
nq3 = 1
/

Any help would be appreciated.

sponce
Site Admin
Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Error allocating epmatwe

Post by sponce »

Hello,

In a metal, such as for superconductivity, you should have lpolar = .false.
Is this the case ?

Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com

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