[QE-users] Raman intensities in quantum espresso

[Banhi Chatterjee]

Dear users, 

I have calculated the normal modes around Gamma point of a compound
using ph.x. 

All my modes are Raman active. I have followed example15 in the
tutorials of the 

release q-e-qe-6.7MaX-Release.tar.gz. 

After completing the phonon calculations I run dynmat.x. 

Then I extract and plot the Raman frequecies and intensities 

using the following two commands. 

awk 'NR==1,/mode/{next}/DYNMAT/,NR==0{next}{print}' si.dm.out >
plotdata_si.dat 

plot 'plotdata_si.dat' u ($2):($3) title ' si-RAMAN' w i lw 2 

I want to clarify if this is the correct way to extract the Raman
intensities. If not, 

where can I find how to do this in an appropriate way. 

Thanking you, 

Banhi Chatterjee

-- 
Dr. Banhi Chatterjee
Post-doctoral researcher
Jozef stefan Institute, Ljubljana, Slovenia
e-mail: Banhi.Chatterjee at ijs.si
        banhiphy at gmail.com
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