[QE-users] Error in bands.x
Melsa Rose Ducut
melsa_rose_ducut at dlsu.edu.ph
Wed Sep 22 09:34:02 CEST 2021
I am using Quantum ESPRESSO 6.8 to calculate band structure. Here is my
input file.
&bands
prefix = 'MoS2'
outdir = './outdir'
filband= 'mos2.bands.dat'
I still get the plottable output files but there is an error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine smallgk (1):
Not a group
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Is this a problem? How can I fix this? Thank you.
Regards,
Melsa Rose Ducut
De La Salle University
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