[Pw_forum] q2r not reading matdyn
A. Jain
aj520 at cam.ac.uk
Tue Dec 19 12:45:37 CET 2017
My input file ph.x is also given below.
phonons of water-tos dark
&inputph
amass(1)=101.07 ! ru
amass(2)=32.065 ! s
amass(3)=15.999 ! o
amass(4)=14.007 ! n
amass(5)=12.011 ! c
amass(6)=1.008 ! h
outdir='./out/q#'
tr2_ph=1.0d-12,
prefix='h2o_tosylate_dark_ph'
epsil=.false.
recover=.true.
start_q=#q
last_q=#q
ldisp=.true.
nq1=2, nq2=2, nq3=2
/
I have used a 2x2x2 mesh for both the k-points in pw.x and q-points in
ph.x.
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