[Pw_forum] [Fwd: dielectric tensor]

[Vivek Ranjan]

Thanks Eduardo,

Yes, I am aware of the formalism..... but I was wondering if a utility has
been created to analyze the derivative database and generate these
numbers.
It seems it is still not available. Perhaps I can code it and submit it to
PWSCF.

Thanks again,

Vivek


> Dear Vivek,
> I think you can calculate the low frequency dielectric tensor using the
> PHONON output and a formula.
> Please, see PHYSICAL REVIEW B 76, 245110 (2007), eq. (1).
>
> Maybe PHONON can calculate directly, but I don not find how.
> Best regards
> Eduardo
>
> --
> Eduardo Menendez
> Departamento de Fisica
> Facultad de Ciencias
> Universidad de Chile
> Phone: (56)(2)9787439
> URL: http://fisica.ciencias.uchile.cl/~emenendez
>
>
>
>>
>> ---------- Mensaje reenviado ----------
>> From: "Vivek Ranjan" <vranjan at ncsu.edu>
>> To: pw_forum at pwscf.org
>> Date: Mon, 23 Feb 2009 10:05:03 -0500 (EST)
>> Subject: [Pw_forum] [Fwd: dielectric tensor]
>>
>>
>> ---------------------------- Original Message
>> ----------------------------
>> Subject: dielectric tensor
>> From:    "Vivek Ranjan" <vranjan at ncsu.edu>
>> Date:    Fri, February 20, 2009 4:54 pm
>> To:      pw_forum at pwscf.org
>> --------------------------------------------------------------------------
>>
>> Hello,
>>
>> I was wondering if PWSCF can calculate low frequency dielectric
>> permittivity tensor. I would like to calculate dielectric constant in
>> KHz
>> frequency range.
>>
>> Thank you,
>>
>> Vivek Ranjan
>> NCSU
>>
>>
>> __________________________________________________________________________
>> web : http://www.geocities.com/vivekranjanweb
>> __________________________________________________________________________
>> Vivek Ranjan                             Email : vranjan at chips.ncsu.edu
>> Center for High Performance Simulation         : vranjan at ncsu.edu
>> Department of Physics
>> NC State University                      Phone : +1-919-513-0613
>> (Office)
>> Campus Box 7518                          Fax   : +1-919-513-4804
>> Raleigh, NC 27695
>> --------------------------------------------------------------------------
>>
>>
>>
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__________________________________________________________________________
web : http://www.geocities.com/vivekranjanweb
__________________________________________________________________________
Vivek Ranjan                             Email : vranjan at chips.ncsu.edu
Center for High Performance Simulation         : vranjan at ncsu.edu
Department of Physics
NC State University                      Phone : +1-919-513-0613 (Office)
Campus Box 7518                          Fax   : +1-919-513-4804
Raleigh, NC 27695
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