Thanks very much for your reply. What if I want to plot the graph of frequency versus the wavevector K specifying the Gamma, K and M points..Can one do this in one go or does he have to calculate the frequencies for each of the points separately and then connect them.
N.B: I was trying to use ldisp=true and provide an nq1 x nq2 x nq3 grid and I got the previous error. Any examples dealing with this? Thanks Elie Mouaes University of Nottingham NG7 2RD UK > Date: Wed, 31 Mar 2010 17:16:57 +0200 > From: nnlinh at sissa.it > To: pw_forum at pwscf.org > Subject: Re: [Pw_forum] phonon dispersion for graphene > > Your input file lacks the points where you want to calculate phonon > dispersion (Gamma, X, ...) > So, you should see in example02 for reference of phonon input file > > Good luck > Linh > > Elie Moujaes wrote: > > Sear PWSCF users, > > > > I am calculating the phonon dispersion for graphene. I did the scf > > calculations then when I am running the ph.x command, I always get the > > error: > > > > > > > > Program PHONON v.4.1.2 starts ... > > Today is 31Mar2010 at 12: 1:50 > > > > Ultrasoft (Vanderbilt) Pseudopotentials > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > from phq_readin : error # 1 > > reading inputph namelist > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > > > stopping ... > > > > > > > > > > which means that something is wrong in the input. But I could not fins > > any mistake in the input file...Can anyone please check it for me? My > > input is: > > > > > > > > > > > > > > > > &inputph > > > > tr2_ph=1.0d-14, > > > > prefix='ph mono graphene', > > > > ldisp=.true., > > > > nq1=28, nq2=28, nq3=1, > > > > amass(1)=12.00000, > > > > outdir='/tmp/results_MOUJAES/', > > > > fildyn='phmgraphene.dyn' > > > > / > > > > > > > > Thanks > > > > > > > > Elie Moujaes > > > > University of Nottingham > > > > NG7 2RD > > > > UK > > > > > > > > > > > > > > ------------------------------------------------------------------------ > > Got a cool Hotmail story? Tell us now > > <http://clk.atdmt.com/UKM/go/195013117/direct/01/> > > ------------------------------------------------------------------------ > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > -- > ----------------------------------------------------- > Nguyen Ngoc Linh, PhD Student > c/o: SISSA & CNR-INFM Democritos, > via Beirut 2-4, 34014 Trieste (Italy) > email: nnlinh at sissa.it > phone: +39 04 03787 319 > skype: ngoclinh84phys > ----------------------------------------------------- > "The physics is theoretical but the fun is real" > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum _________________________________________________________________ Tell us your greatest, weirdest and funniest Hotmail stories http://clk.atdmt.com/UKM/go/195013117/direct/01/ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100331/0b3028eb/attachment.htm
