[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
-------------- next part --------------
A non-text attachment was scrubbed...
Name: run_Phonon_DOS.sh
Type: text/x-sh
Size: 7804 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210129/31e86513/attachment.bin>
More information about the users
mailing list