Dear Jagdish, Yes sir you are right. Please consider it as a typo error.
On Thu, Jan 11, 2018 at 10:08 PM, Jagdish verma <jagdishv...@gmail.com> wrote: > 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 <rse2017...@iiita.ac.in> > 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 >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > With best regards, > Jagdish Verma, > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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