[QE-users] error executing the d3_q2r.x

[Elio Physics]

Dear  all,

This post concerns the "d3q" and "thermal2" codes:

I am trying to test the d3q code by reproducing the results for Silicon. Everything went fine except when I execute the d3_q2r.x flag which applies to the 2nd order dynamical matrices.  The dynamical matrices for the 8 points in the q grid were produced as "matdyn0", "matdyn1", "matdyn2",....,"matdyn8". My d3_q2r.x input is:

&input
fildyn  =  'matdyn'
flfrc   =  'mat2R'
 /

However the code crashes with the error:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine q2r (1):
     error reading input namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I cannot figure out what is wrong with the input. I tried to rename the files as "dyn0", "dyn1",.... and set fildyn='dyn', but I still get the same error. Can anyone spot what the error could be?

Thanks in advance.

Elie Albert Moujaes
Adjunct professor level 4
Federal University of Rondonia
Brazil
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