I would calculate the tensor of polarisabity not raman spectroscopy ? Le 27 févr. 2015 06:26, "Suman Chowdhury" <[email protected]> a écrit :
> 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 < > [email protected]> 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 : *[email protected] <[email protected]>** >> <[email protected]>;* >> >> ---------------------------------------------------------------------------- >> --------------------------------------------------------- >> >> > > > -- > > > > *Senior research fellow Dept. of Physics, University of Calcutta Kolkata- > 700009, West Bengal, India.* > * Ph no-+91-9830512232* > >
