EPW Forum

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.

Hello,

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

Samuel