[Pw_forum] Problem with q2r.x

vu ongphuong ongphuongvu at yahoo.com
Tue Aug 29 03:54:46 CEST 2006

Dear all users
  I have done a self-consistent calculation with pw.x, then a phonon calculation at Gamma pwith ph.x. =>gaas.dynG
  After that I perform Fourier transformation with q2r.x  and run matdyn.x to recalculate phonon modes.
  This is my q2r.in
   fildyn='gaas.dyn', zasr='simple', flfrc='gaas1.fc'
  I followed the example06 of PWSCF (for a grid of q-points, not only at Gamma as my case), but q2r.x give error message:
  forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5, file stdin, line 2, position 9
Image              PC        Routine            Line        Source             
q2r.x              082BD88C  Unknown               Unknown  Unknown
Stack trace terminated abnormally.
  Do the q2r.x run only in case of grid of q-points? and not in 1 point (Gamma)? 
  Please tell me how to set up the input-files of q2r.x in case of phonon calculation only at Gamma. 
  Thank you very much.

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