[Pw_forum] 2D special points

Stefano Baroni baroni at sissa.it
Thu Apr 26 21:15:35 CEST 2007


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
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>>> Boulevard du Triomphe
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>>> BELGIUM
>>>
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>>
>> ---
>> 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
>>
>>
>>
>>
>
>
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---
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



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