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.
Error allocating epmatwe
Moderator: stiwari
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Re: Error allocating epmatwe
Hello,
In a metal, such as for superconductivity, you should have lpolar = .false.
Is this the case ?
Samuel
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
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com