Dear users,
The following is my input for matdyn.in to compute phonon frequency.
&input
asr='simple',
amass(1)=40.078,
amass(2)=28.0855,
amass(3)=15.999,
flfrc='3.5360.fc',
flfrq='3.5360.freq',
q_in_band_form=.true.,
/
6
gG 40
X 20
M 20
gG 40
R 20
X 20
On running the script I get the following error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 7
from find_letter_coordinate : error # 1
Letter not recognized gG
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 15
from find_letter_coordinate : error # 1
Letter not recognized gG
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Can I know if anything is wrong with my input script?
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