[QE-users] phonon dos
Sohail Ahmad
sohailphysics at yahoo.co.in
Sat Dec 5 12:58:30 CET 2020
Dear QEusers,
I am using QE 6.5 and got dispersion curve but it gives error in calculating phonon dos
pls check input, if there is any error
&input
asr = 'simple',
dos = '.true.',
amass(1) = 51.99,
amass(2) = 28.08,
amass(3) = 58.69,
flfrc = 'NiCrSi.fc',
fldos = 'NiCrSi.phdos',
nk1 = 8, nk2 = 8, nk3 = 8,
/
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Dr. Sohail Ahmad
Department of Physics
Faculty of Science, P. O. Box - 9004
King Khalid University
Abha, Saudi Arabia
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