[Pw_forum] TDDFT approach for periodic system

[Marci]

Dear Priya,

Though I have never tried, it should work with periodic systems if you
sample the Brillouin zone only with the gamma point. Keep in mind that
the usual adiabatic approximations with (semi)local functionals might
not work very well for calculating the absorption of periodic systems.

Marton

--
Marton Voros
PhD student
Department of Atomic Physics
Budapest University of Technology and Economics
Budafoki út 8., H-1111, Budapest, Hungary
www.fat.bme.hu/MartonVoros

On Tue, Apr 19, 2011 at 11:02 PM, Johari, Priya Sudhir
<priya_johari at brown.edu> wrote:
> Thanks Duy, but the link does not give sufficient information. However, I
> found a discussion on forum's archive itself where Giuseppe Mattioli has
> mentioned that TDDPFT does not work for periodic systems :-(
>
> Dr Priya Johari.
> Brown University,
> Providence, RI - 02906. USA
>
>
>
> On Tue, Apr 19, 2011 at 3:59 PM, Duy Le <ttduyle at gmail.com> wrote:
>>
>> If you do a little homework (such as googling keyword TD-DFPT), you'll
>> find this link
>> http://qe-forge.org/projects/tddfpt/
>> I have not read it carefully but I guess it contains some useful
>> information.
>> --------------------------------------------------
>> Duy Le
>> PhD Student
>> Department of Physics
>> University of Central Florida.
>>
>> "Men don't need hand to do things"
>>
>>
>>
>> On Tue, Apr 19, 2011 at 3:26 PM, Johari, Priya Sudhir
>> <priya_johari at brown.edu> wrote:
>> > TD-DFPT
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