[QE-users] QHA calculations

henry odhiambo henod2001 at yahoo.com
Fri Jan 29 09:04:14 CET 2021


Hi everyone,

I am calculating thermal properties using the QHA. However, I get the following error output in the matdyn.out file:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
    Error in routine matdyn (5010):
    reading input namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

    stopping ...

Could anyone help locate the problem. Input file is attached.

Henry Odhiambo Otunga
Department of Physics and Materials Science
Maseno University
Kenya
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