Dear PWSCF, I successfully installed QE.6.1 version. Here my main aim to get λq and ωq around different high symmetry point like phonon dispersion plot.
I successfully run the Aluminium example in PHonon/example03. The genarated files are as follows. a2F.dos1 a2F.dos8 al.dyn1 al.elph.in disp.in elph.gamma.4 gamma10.ps gamma.disp.out matdyn.in.freq.new TMP a2F.dos10 a2F.dos9 al.dyn2 al.elph.out disp.out elph.gamma.5 gamma1.dat gamma_test.agr matdyn.modes a2F.dos2 Al444.fc al.dyn3 alpha2F.dat dyna2F elph.gamma.6 gamma1.ps lambda matdyn.out.dos a2F.dos3 Al444.freq al.dyn4 al.ph.agr elph_dir elph.gamma.7 gamma2.dat lambda.dat matdyn.out.freq a2F.dos4 Al444.freq.gp al.dyn5 al.scf.fit.in elph.gamma.1 elph.gamma.8 gamma2.ps lambda.in matdyn.out.freq.new a2F.dos5 al_disp_0.dat al.dyn6 al.scf.fit.out elph.gamma.10 elph.gamma.9 gamma3.dat lambda.out phonon.dos a2F.dos6 al_disp_0.ps al.dyn7 al.scf.in elph.gamma.2 gam.lines gamma3.ps matdyn.in.dos q2r.in a2F.dos7 al.dyn0 al.dyn8 al.scf.out elph.gamma.3 gamma10.dat gamma.disp.in matdyn.in.freq q2r.out Here i did phonon calculations with q grid nq1=4, nq2=4, nq3=4. It is creating 10 number of al.dyn files and 10 number of elph.gamma files. Here my problem is how to get phonon line-widths for a hole BZ like phonon dispersion. I can plot individual elph.gamma file with the following script elph.gamma.10 0 300 gamma10.dat gamma10.ps 0.0 20.0 0.0 But i want a complete integrated within the BZ. So, what i need to do to get total line width for each acoustic phonon mode. Please help me in this regard. Thanking you. -- *P.V.SREENIVASA REDDY* *Research ScholarDepartment of Physics* *Indian Institute of Technology* *Hyderabad*
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
