[Pw_forum] about raman?

[Paolo Giannozzi]

On Sep 20, 2011, at 11:55 , Eduardo Ariel Menendez Proupin wrote:

> Regarding the units, in dynmat.f90 I can read
>  !   Raman cross sections are in units of bohr^4/(Ry mass unit)
> write (6,'(5x,"Raman cross sections are in A^4/amu units")').
> I guess A means Angstrom

exactly

> but I am not sure that the comment and the write statement are  
> consistent

I hope they are, since some time ago I spent a non-negligible amount  
of time
figuring out the correct units so that absolute Raman cross sections  
could be
calculated. I don't remember much about it, but the attached document  
should
contain the results of my elucubrations

P.

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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222