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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