[QE-users] Phonon not converging

[Mayuri Bora]

Hi,

I am not able to converge phonon calculation for monolayer CrX3. Can
anyone suggest what may be the reason. The input is given below:

BEGIN
phonons of ml
 &inputph
  tr2_ph=1.0d-14,
  ldisp=.true.,
  nq1=7, nq2=7, nq3=7,
  amass(1)=51.996,
  amass(2)=79.904,
  prefix='ml',
  outdir='/global/home/sushantk/mayuri/monolayer/'
  fildyn='ml.dyn',
 /
END


Mayuri Bora
INSPIRE Fellow
Advanced Functional Material Laboratory
Tezpur University
Napaam
http://www.tezu.ernet.in/afml/


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