I have vibra package in siesta package. Let me know the command lines to run Siesta in ubuntu or on window with cygwin environment.
thanking-you On 13 January 2011 16:22, jane alam <mjalam...@gmail.com> wrote: > Thank-you > How to i get vibra package? > > > On 13 January 2011 13:39, Javier Junquera <javier.junqu...@unican.es>wrote: > >> >> Dear Jane: >> >> You can also take a look at: >> >> http://personales.unican.es/junqueraj/ >> >> And follow the links: >> >> Teaching >> Metodos Computacionales... >> Hands-on sessions >> Computing vibrational properties of materials >> >> There you will find a complete tutorial to compute phonons with Siesta. >> The example is made for bulk Si, but the extension for molecules >> is straightforward (just compute the vibrational frequencies for the Gamma >> point). >> >> Hope this helps, >> >> Javier >> >> >> >> 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: rfac...@fq.edu.uy <mailto:rfac...@fq.edu.uy> >>> >>> 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 <mailto:mjalam...@gmail.com> >>> *To:* siesta-l@uam.es <mailto:siesta-l@uam.es> >>> *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 >>> >>> >> >> -- >> ------------------------------------------------------------------------- >> Javier Junquera >> >> Ciencias de la Tierra y Fisica de la Materia Condensada (CITIMAC) >> Avenida de Los Castros s/n >> Facultad de Ciencias >> Universidad de Cantabria >> E-39005 Santander, Cantabria >> Spain >> >> web-page: http://personales.unican.es/junqueraj >> e-mail: javier.junqu...@unican.es >> Tel: (+34) 942 20 15 16 >> Fax: (+34) 942 20 14 02 >> >> >> > > > -- > Mohammad Jane Alam > Research Scholar > Physics Department > A.M.U. Aligarh > > -- Mohammad Jane Alam Research Scholar Physics Department A.M.U. Aligarh
