[Pw_forum] 2D special points

[Stefano Baroni]

On Apr 26, 2007, at 8:01 PM, Eyvaz Isaev wrote:

> Hi,
>
> In addition to Stefano's theoretical introduction

actually, I did not mean to be any "theoratical", but rather praticat  
instead ;-) ...

S.

> please have a look at the next papers:
>
> 1. Special points in the two-dimensional Brillouin
> zone,  S. L. Cunningham, Phys. Rev. B 10, 4988 (1974)
>
> 2. Brillouin-zone integration by Fourier quadrature:
> Special points for superlattice and supercell
> calculations, Sverre Froyen.  Phys. Rev. B 39, 3168
> (1989)
>
> Bests,
> Eyvaz.
>
>
> --- Stefano Baroni <baroni at sissa.it> wrote:
>
>> take the xy components of the special points of any
>> crystal structure  which has ona lattice vector
>> orthogonal to the other  two. this
>> situation is the rule, e.g., for supercell surface-
>> or interface-
>> supercell calculations. SB
>>
>> On Apr 26, 2007, at 7:05 PM, Nicolas Chamel wrote:
>>
>>> Dear all,
>>>
>>> I'm looking for a set of special points for
>> Brillouin zone
>>> integrations in 2D lattices. Does someone has
>> references?
>>>
>>> Thanks in advance,
>>> Nicolas Chamel.
>>>
>>> Institut d'Astronomie et d'Astrophysique
>>> Universite Libre de Bruxelles
>>> CP 226
>>> Boulevard du Triomphe
>>> B-1050 Brussels
>>> BELGIUM
>>>
>>> tel. +32 2 650 35 72
>>> fax. +32 2 650 28 64
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://www.democritos.it/mailman/listinfo/pw_forum
>>
>> ---
>> Stefano Baroni - SISSA  &  DEMOCRITOS National
>> Simulation Center -
>> Trieste
>> [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni
>> (skype)
>>
>> Please, if possible, don't  send me MS Word or
>> PowerPoint attachments
>> Why? See:
>>
> http://www.gnu.org/philosophy/no-word-attachments.html
>>
>>
>>
>>
>
>
> __________________________________________________
> Do You Yahoo!?
> Tired of spam?  Yahoo! Mail has the best spam protection around
> http://mail.yahoo.com
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html



-------------- next part --------------
An HTML attachment was scrubbed...
URL: /pipermail/attachments/20070426/a6611bab/attachment.htm