Hi, The problem is connected to your mistake in the input file. For electronic DOS calculations you use DeltaE, but for phonon DOS calcuations one shoud use ndos=NNNN instead of DeltaE. So, it is not affected by nk1,nk2,nk3 set, of course.
Bests, Eyvaz. --- Guoying Gao <gaoguoying at gmail.com> wrote: > Dear everyone, > When I do the calculation of phonon density of > states using the > quantum-espresso-3.2 code, it gives the following > errors: > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > PGFIO-F-239/namelist read/unit=5/entity name is > not member of group. > File name = stdin formatted, sequential > access record = 8 > In source file matdyn.F90, at line number 195 > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > The input parameters for DOS are listed as follows: > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > &input > asr='simple', > dos=.true., > amass(1)=1.00794, > amass(2)=72.61, > flfrc='ab.fc', > nk1=2,nk2=2,nk3=2, > deltaE=1.0, > fldos='ab.dos' > / > EOF > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Before we calculate DOS we have got the ab.fc file. > We have tried > different nk1,nk2,nk3, but the errors > still happen. Does anyone know the reason for this? > Any suggestions > will be apprecialted. > Thanks in advance. > Guoying > National Lab of Superhard Materials, JiLin > University, P.R.China > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, and Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com ____________________________________________________________________________________ Never miss a thing. Make Yahoo your home page. http://www.yahoo.com/r/hs
