Re: [SIESTA-L] Phonon-DOS

2009-07-23 Thread Markus Kaukonen
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

[SIESTA-L] Phonon-DOS

2009-07-05 Thread karim rezouali
Dear All, Is there any a way to calculate phonon density of states? Karim

Re: [SIESTA-L] Phonon DOS

2006-05-31 Thread Andrei Postnikov
On Wed, 31 May 2006, Sharat Chandra wrote: | Hi | Can any one please tell me how to calculate the phonon DOS using Vibra | module? Has any one developed a code for carrying out the calculation? Hallo Sharat: yes I have a tool to calculate (local) phonon DOS, however it is of limited usefulness: