[Pw_forum] Phonon calculation of Silicene: ph.x

[NEELESH GUPTA]

Dear All ,

I'm trying to perform a phonon calculation of silicne using using ph.x on
QE v 6.0.

I running this simulation using parallelzation
mpirun -np 32 -hostfile machine ph.x -ndiag4  -nk 2 <ph.in> ph.out



Error generated...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine set_kplusq (23976):
     too many k points
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

##I have done the scf calculation is done with k-points
  36  36  36  0 0 0

##  Detailed paramters
  ibrav=4,
  celldm(1)=7.3321373633d0, celldm(3)=12.8865979381d0,
  nat=2,
  ntyp=1,


## the ph code is....
Ph
 &inputph
    prefix='calc'
    outdir='Xe',
    fildyn='calc.dyn',
    tr2_ph=1.0d-16,
    alpha_mix=0.7,
    verbosity='high',
    ldisp=.true.,
    epsil= .false.
    trans=.true,
    nq1=4,nq2=4,nq3=1,



I have tried with -nimage in mpi run  but it stops and in crash files
it shows error of too many k-points.


*Thanks in advance!*




Warm regards
Neelesh Gupta
Research Scholar,ECE
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