Dear expert,
I am trying to calculate the phonons for NaFeAs and I used
2*2*2 q points. And 5*5*3 k points in the scf calculations.
After calculating the force constants from q2r.x, when I run matdyn.x i get
the following error
Error in routine frc_blk (1): wrong total_weight
This is my matdyn.in file.
&input
asr='crystal'
flfrc='nafeas.222.fc.xml', flfrq='nafeas.freq', q_in_band_form=.true.,
/
2
gG 100
Z 1
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