[QE-users] About error: el-ph coefficient calculation disabled in noncolinear/spinorbit case
Prarena Jamwal
prarena.19phz0008 at iitrpr.ac.in
Mon Sep 19 09:08:45 CEST 2022
Dear users,
I am using quantum espresso v7.0, and getting an error during
electron-phonon calculation.
* Error in routine phq_readin (1): el-ph coefficient calculation
disabled in noncolinear/spinorbit case*
and this is my input (ph.in)
title_line
&inputph
prefix = 'pb',
fildyn = 'pb.dyn',
amass(1) = 207.2,
outdir = './'
ldisp = .true.,
trans = .true.,
fildvscf = 'dvscf',
electron_phonon='interpolated',
el_ph_sigma=0.005,
el_ph_nsigma=10,
nq1=3,
nq2=3,
nq3=3,
tr2_ph = 1.0d-12
I got to know in v7.0, there is some reshuffling of variables for
noncollinear and spin-orbit calculations. But I am unable to resolve this
error.
I use soc tags (lspinorb and noncolin) in scf.in and output is generated
well.
There is no error in inputs as I have generated results with QE v6.4.1
Would you please help me to fix this?
Thank you.
Regards
Prarena
Indian Institute of Technology Ropar INDIA.
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