Check the link below and attached file and I hope to be useful to you.

Thanks

http://www.larrucea.eu/compute-ir-raman-spectra-qe/

Dear Sanjiv,

Can you tell me some step for calculating Raman spectra from quantum espresso.

Any relevant literature on the same other than material in above post !

Thank You

Shilendra

Yes, but QE doesn't come with the linewidth and good intensities. VASP+Phonopy+Phono3py make up what QE can't do.

Dear Shawkat,

You can calculate the IR and Raman spectra using the Quantum Espresso package. If you are familiar with QE, it will be very simple for you. The procedure is as follows:

• Optimize the wavefunction by performing a self-consistent field (scf) calculation with pw.x code.
• Calculate the vibrational frequencies (normal modes/phonons) with ph.x code.
• Extract the phonon information from ph.x output using dynmat.x code.
• Parse the dynmat.x output section that contains the spectra data (frequencies and intensities) and plot it with gnuplot, to produce these two spectra.

Can IR and Raman spectroscopy in Quantum espresso can be calculated using Ultrasoft-pseudo potentials and GGA exchange-correlation functional?

yes, You can calculate the IR and Raman spectra using the Quantum Espresso package.

Quantum espresso & Abinit codes can be used to calculate IR and Raman spectra with GGA/LDA pseudopotentials.

But is it possible for any metallic system?

For metallic system epsil=.true. stops the code. Is there any alternative package which can serve my purpose?

Dear @Soumyadeep Ghosh

In order to calculate raman spectra, you need to use LDA norm conserving pseudopotential, also for metallic system, change epsil =.false.