Thank you Vahid Askarpour. I have two questions:

a) Is there a problem if I don't specify amass? b) I have already done this procedure using the following files: ph.x: &inputph prefix = 'Si', epsil = .false., fildyn = 'diam.dyn', ldisp = .true. fildvscf = 'dvscf' nq1=6, nq2=6, nq3=1, tr2_ph = 1.0d-12, recover = .true. / This run ok q2r.in: &input fildyn='diam.dyn', flfrc='Si.rc' / This run ok matdyn.in: &input flfrc='Si.rc', flfrq='Si.freq', q_in_band_form=.true. / 4 gG 50 X 50 M 50 gG 8 And I got the following error: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine find_bz_type (1): Wrong ibrav %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Is it possible that this is because I messed up the names of the files, or do I need to include explicitly the coordinates of the high symmetry points? Regards Eleni Quoting Vahid Askarpour <vh261...@dal.ca>: > Once you get all the .dyn files from the ph.x run, use the following > input to q2r.x to get the force constants: > > &input > fildyn=’Si.dyn', zasr='simple', flfrc=’Si.ifc2’ > / > > Then use the following input to matdyn.x: > > &input > asr='simple', amass(1)= 28.0855 > flfrc=’Si.ifc2', flfrq=’Si.freq', q_in_band_form=.true. > / > 6 ! number of high-symmetry points > 0.0 0.0 0.0 200 > 0.0 0.0 1.0 200 > etc. > > The coordinates of the high symmetry points should be in cartesian > coordinates. 200 points will be calculated for each segment. The > phonon dispersion is in the .gp output file. > > Cheers, > > Vahid > > Vahid Askarpour > Department of Physics and Atmospheric Science > Dalhousie University, > Halifax, NS, Canada > >> On Feb 19, 2018, at 4:54 AM, elch...@auth.gr wrote: >> >> Hello all, >> >> I am using ph.x to get the phonon frequencies and dynamical matrices >> for an epw.x calculation, however, I would like to plot my phonon >> dispersions from the ph.x calculation for far, as for example is shown >> in >> >> http://epw.org.uk/Documentation/B-dopedDiamond >> >> I am lost as to how I can do that. My ph.x file is as follows, >> >> &inputph >> prefix = 'Si', >> epsil = .false., >> fildyn = 'diam.dyn', >> ldisp = .true. >> fildvscf = 'dvscf' >> nq1=6, >> nq2=6, >> nq3=1, >> tr2_ph = 1.0d-12, >> recover = .true. >> / >> >> Do I need to use q2r.x and matdyn.x to the files for plotting? >> >> >> Thank you >> >> >> >> -- >> Dr. Eleni Chatzikyriakou >> Computational Physics lab >> Aristotle University of Thessaloniki >> elch...@auth.gr - tel:+30 2310 998109 >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Dr. Eleni Chatzikyriakou Computational Physics lab Aristotle University of Thessaloniki elch...@auth.gr - tel:+30 2310 998109 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum