Hei, It might be possible for IR intensities using ase package (https://wiki.fysik.dtu.dk/ase/). Unfortunately the ASE-implementation does not fully support siesta calculation for IR intensities (the calculation of dipole moment is not there for siesta but it should be easy to add).
Alternatively maybe siesta3.0 has it??? terveisin Markus 2009/7/5 karim rezouali <rezoual...@yahoo.fr>: > Dear All, > > Is there any a way to calculate phonon density of states? > > Karim > > > > -- --www=http://www.iki.fi/markus.kaukonen --markus.kauko...@iki.fi --office: N102 Nano building FIN-02015 TKK --home: Viinirinne 3 F 12, 02630 Espoo, FIN --tel: h 045-1242068, w 4518694, 050-5112785 --Rikos ei kannata, eika maatalous --Suomessa. (Paimio 1998) ---
