Dear Neelesh, I don't know about the error. But in scf input , I think you should have 36 36 1 0 0 0 k grid because silicene has 2D structure. It will decrease k points in scf.out. Please correct me if I said anything wrong.
On Thu, Jan 11, 2018 at 5:50 PM, NEELESH GUPTA <[email protected]> wrote: > 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 > > > > > > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- With best regards, Jagdish Verma,
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