[QE-users] Error in routine davcio at beginning of phonon calculation

nate szymanski njszym at gmail.com
Tue Apr 9 19:28:32 CEST 2019


Hello,

Upon attempting to run ph.x to compute the phonon dipsersions of a compound
(ScC), I am running into the following error very early in the calculation:

Error in routine davcio (27):
error while reading from file "./_ph0/ScC.q_1/ScC.dv1"

When I check the file "ScC.dv1", I notice that it is completely empty.
However, I can't seem to figure out why this is, as everything in the
output seems completely normal.

My input file for ph.x is as follows:

&inputph
  prefix='ScC',
  ldisp=.true.,
  fildyn='dyn',
  nq1=8,
  nq2=8,
  nq3=8,
  tr2_ph=1.0d-12,
  alpha_mix(1)=0.6,
  lshift_q = .true.,
  fildvscf='dv',
  fildrho = 'drho',
  electron_phonon='lambda_tetra'
/

This run is performed after completing a well-converged self-consistent
calculation in the same folder.

Any help would be appreciated.

Sincerely,
Nathan
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