Dear Researchers,
I am trying to calculate phonon on Grid in windows. After completing the
scf calculation, when calculating the ph.x my input file is:
Phonons for GO
&inputph
tr2_ph = 1.0d-14,
prefix = 'GO',
ldisp = .true.,
nq1 = 4,
nq2 = 4,
nq3 = 1
start_q = 1,
last_q = 1,
amass(1) = 12.01070,
amass(2) = 15.99940,
outdir = ".\outdir\1",
fildyn = 'GO.dyn',
/
[since my material is 2D, I am using nq3 = 1],
but the output shows the following error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine phq_readin (1):
reading inputph namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
is there anything that I have done wrong? Or is my syntax wrong? I would
appreciate, if you can suggest the correct syntax in that case.
Thank you
Khalid
M.Sc Student
BUET
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