[Pw_forum] Raman Spectra of Molecular Crystals

["Kacper Drużbicki"]

Dear QE Users,

My name is Casper and I am a newbie in Quantum Espresso with some experience in modeling with other periodic codes (mainly CASTEP and DMOL3). Please forgive me bothering you with my question. I don't want to spam QE maillist, but I would like to kindly ask someone for some help in modeling of vibrational spectra of molecular crystals. Could anyone send me any exemplary input which allows to compute IR and Raman spectra of any simple system? I am rather disoriented while reading some manuals etc. and I am not sure how to start. I would really appreciate your help. 

With best wishes,
Casper  

Kacper Drużbicki,
Faculty of Chemistry,
Department of Chemical Physics,
Jagiellonian University,
Ingardena Street 3, 30-060 Kraków, Poland
phone: +48 12 6632265