[Wien] Phonon Package!!

[ahmad gharleghi]

Dear Professor Blaha,
Sorry for asking so many questions; believe me I could not understand it!
If you do not have Phonon Package separately, maybe you mean it is not
separate from Wien2k Package; is it true?
Else, what the following information may mean about phonon properties that
can be calculated using Wien2K?
Calculated properties


   - Energy bands <http://www.wien2k.at/features/bandstructure.jpg> and density
   of states <http://www.wien2k.at/features/img93.png>
   - electron densities <http://www.wien2k.at/features/img87.png> and spin
   densities, x-ray structure factors
   - Baders's "atoms-in-molecule" concept
   - total energy, forces, equilibrium
geometries<http://www.wien2k.at/features/volume.jpg>,
   structure optimization, molecular dynamics
   - Phonons, with an interface to K.Parlinski's PHONON
<http://wolf.ifj.edu.pl/phonon/>
   program
   - electric field gradients, isomer shifts, hyperfine fields
   - spin-polarization (ferro- or antiferromagnetic structures), spin-orbit
   coupling
   - x-ray emission and absorption spectra, electron energy loss spectra
   - optical properties
   - fermi surfaces
   - LDA, GGA, meta-GGA, LDA+U, orbital polarization
   - centro- or non-centrosymmetric cells, all 230 spacegroups built in
   -

On Mon, Oct 17, 2011 at 3:43 PM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> About my third question about phonon package, as I have understood, there
>> are two methods to get it; we may purchase it from your center or offer it
>> from the other group who has
>> this code; is it true?
>>
>
> No, we do NOT distribute PHONON and you cannot obtain it through us.
>
>
> --
>
>                                      P.Blaha
> ------------------------------**------------------------------**
> --------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/**
> theochem/ <http://info.tuwien.ac.at/theochem/>
> ------------------------------**------------------------------**
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