thank-you very much prof. On 13 January 2011 11:17, Ricardo Faccio <[email protected]> wrote:
> Dear Jane Alam > The answer is yes, you can obtain vibrational frequencies for molecules. > You need to use de Vibra package at the /Util directory on your > installation. > For a simple example, please go at the Day-4 of the Cecam school on 2007. > http://www.icmab.es/siesta/documentation/tutorials/Lyon-2007/Exercises-Lyon07.zip > Good luck > Ricardo > > ------------------------------------------------------------------------- > Dr. Ricardo Faccio > Prof. Adjunto de Física > Mail: Cryssmat-Lab., Cátedra de Física, DETEMA > Facultad de Química, Universidad de la República > Av. Gral. Flores 2124, C.C. 1157 > C.P. 11800, Montevideo, Uruguay. > E-mail: [email protected] > Phone: (+598) 2924 9859 > (+598) 2929 0648 > Fax: (+598) 2924 1906 > Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm > > --------------------------------------------------------------------------------- > > ----- Original Message ----- > *From:* jane alam <[email protected]> > *To:* [email protected] > *Sent:* Wednesday, January 12, 2011 4:45 AM > *Subject:* [SIESTA-L] How to calculate vibrational frequencies of molecule > with Siesta program? > > Hello all > Let me know about How to calculate vibrational frequencies of molecule with > Siesta program? can any body send me input and output files regarding to > this problem? > > -- > Mohammad Jane Alam > Research Scholar > Physics Department > A.M.U. Aligarh India > > -- Mohammad Jane Alam Research Scholar Physics Department A.M.U. Aligarh
