[Pw_forum] Raman Spectra of Molecular Crystals

[xirainbow]

Dear Kacper Drużbicki:
     Read the document in your installation directory :
/espresso-XXX/examples/README carefully. Then you will find what you need:)

2011/8/29 "Kacper Drużbicki" <kacper.druzbicki at uj.edu.pl>

> 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
> _______________________________________________
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>



-- 
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China
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