subject:"\[SIESTA\-L\] Phonons in CdSe"

Re: [SIESTA-L] Phonons in CdSe

2006-11-21 Thread Andrei Postnikov

On Tue, 21 Nov 2006, marcel wrote: | Dear All, | | I'm doing some test calculations on bulk hexagonal CdSe. I want to calculate | the phonon dispersion. | (Im using the version of T. Archer, for LO-TO splitting and include BC in my | Siesta calculation. | The dielectric constants I use are from

[SIESTA-L] Phonons in CdSe

2006-11-21 Thread marcel

Dear All, I'm doing some test calculations on bulk hexagonal CdSe. I want to calculate the phonon dispersion. (Im using the version of T. Archer, for LO-TO splitting and include BC in my Siesta calculation. The dielectric constants I use are from literature on measurements. ) I get perfect