[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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