[Pw_forum] Reg: plotting of phonon line width along high symmetry directions

[Peram sreenivasa reddy]

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*
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