[QE-developers] Bug Report

[Hao Zeng]

Dear QE Developers,

I believe I encountered a bug in the phonon calculation. After I set the
reduce_io to .true. in phonon input file, ph.x cannot find the necessary
.wfc files. This error goes away if I set reduce_io back to .false..

Here's a snippet of the output file:

 Computing dynamical matrix for

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine openfilq (1):
     file fo75fa25.wfc not found
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

If I start with a calculation of reduce_io = .false., cancel it, and then
start the same calculation with reduce_io set to .true, the error also
disappears.

Sincerely,
Hao


-- 
Hao Zeng, PhD Student
Department of Chemistry
The University of Chicago
Chicago, IL, USA, 60637
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