[QE-users] Electronic Raman spectroscopy calculation for metallic systems in QE

Soumyadeep soumyadeep at rrcat.gov.in
Mon Jun 1 06:37:29 CEST 2020



Dear QE experts,
            I want to calculate electronic Raman spectra for iron based 
superconducting materials (metallic system) and have following queries,
(1) Is it possible to calculate Raman spectra for metallic systems using 
QE?
(2) What kind of PP will be appropriate? Norm-conserving 
GGA-PBE/PAW/GIPAW PP (Ultrasoft GGA-PBE is very well suited for our 
system)


with many thanks and best wishes
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Soumyadeep Ghosh,
Senior Research Fellow,
Homi Bhabha National Institute (HBNI),
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
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