As far as I am concern it is not possible to calculate raman spectroscopy by using siesta. You can calculate other DFT code such as quantum espresso or Gaussian for this.
On Thu, Feb 26, 2015 at 9:51 PM, Mourad Boutahir <mourad.bouta...@gmail.com> wrote: > helo, > i m phD in morocco i start to use the code siesta for dynamic calculations > i would calculate the raman spectroscopy of some structures. > so please if it was possible to indicate me how i can calculate the raman > polarisabity model using the code siesta. > > best regards > > -- > > ----------------------------------------------------------------------------------------------------------------------------------------------- > *Mr. Mourad BOUTAHIR* ; > Doctorant à la Faculté des sciences MEKNES ; > Laboratoire d'Etude des Matériaux Avancés et Applications (LEM2A) > Université Moulay Ismail > GSM : +212662770697; > E-mail : *mourad.bouta...@gmail.com <mourad.bouta...@gmail.com>** > <ait_ta...@yahoo.fr>;* > > ---------------------------------------------------------------------------- > --------------------------------------------------------- > > -- *Senior research fellow Dept. of Physics, University of Calcutta Kolkata- 700009, West Bengal, India.* * Ph no-+91-9830512232*
