[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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