[Pw_forum] Error write_dfile_star

[MICHALCHUK Adam]

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
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