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LOTO splitting in Nanowires

From: Marcel Mohr <marcel@physik.tu-berlin.de>
To: forum@abinit.org
Subject: LOTO splitting in Nanowires
Date: Mon, 10 Sep 2007 11:37:36 +0200 (CEST)

Dear list members,

how could one implement the LOTO splitting in Nanowires correctly? The calculation of the Born charges and dielectric tensors are performed.
But if I understand correctly , for the calculation of the LO frequencies, the volume of the unit cell is used (i am refering to the paper gonze PRB 55 10355 (1997)).
However, this unit cell is kind of arbitrary in two directions for NWs.
Are the results from ABINIT still valid?

Cheers Marcel

________________________________________________________________________
Marcel Mohr Institut für Festkörperphysik, TU Berlin
marcel(at)physik.tu-berlin.de Sekr. PN 5-4
TEL: +49-30-314 24442 Hardenbergstr. 36
FAX: +49-30-314 27705 10623 Berlin

Gamma point parallelization?, Rick Muller, 09/07/2007
- Re: [abinit-forum] Gamma point parallelization?, Nichols A. Romero, 09/07/2007
- Re: [abinit-forum] Gamma point parallelization?, Xavier Gonze, 09/08/2007
  - Re: [abinit-forum] Gamma point parallelization?, gilles zerah, 09/08/2007
- LOTO splitting in Nanowires, Marcel Mohr, 09/10/2007
  - Re: [abinit-forum] LOTO splitting in Nanowires, Xavier Gonze, 09/10/2007