Hello,
I am trying to run a ph.x calculation of my material but have run into an
error, and cannot find any previous information in the forum. I have run my
pw.x optimization and successfully calculate my frequencies, but cannot get the
qstar outputs, with the following error following the calculated frequencies:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine write_dfile_star (1):
this subroutine produces random garbage without symmetry!
My phonon input is quite standard, and have not encountered this error before
for other similar calculations.
&INPUTPH
prefix = 'amn'
outdir = './tmp'
tr2_ph = 1e-16
verbosity = 'medium'
fildyn='amn.dynG'
epsil = .true.
recover = .false.
drho_star%open = .true.
drho_star%ext = 'drho',
drho_star%dir = 'FILDRHO'
/
0.0 0 0
Any guidance would be greatly appreciated!
Best wishes,
Adam
------
UoEdinburgh
The University of Edinburgh is a charitable body, registered in
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