[Pw_forum] About GWW

[Stefano Baroni]

For periodic systems, GWW may not be the best choice, though. 
(it requires supercells to perform BZ sampling)
For periodic systems, you may want to check SAX or YAMBO, which also have a noce QE interface
SB

On May 31, 2010, at 6:34 PM, Goranka Bilalbegovic wrote:

> 
> 
> On Mon, May 31, 2010 at 6:00 PM, shudong wang <sd.wang000 at gmail.com> wrote:
> 
> I kown the V4.2 pwscf can have performed GW calculation. Does it can deal with various system?For example, cluster, molecule, or quantum dot and extended system like periodic solids?
> 
> 
> Dear SDWang,
> 
> The answer is yes for all your questions above. You may find very useful: http://gww.qe-forge.org/index.php?page=intro
> Examples (for benzene molecule and Si bulk) are on: http://gww.qe-forge.org/index.php?page=tutorial
> 
> Best regards, 
> 
> 
> 
> -- 
> Goranka Bilalbegovic, 
> Department of Physics, Faculty of Science, 
> University of Zagreb, Croatia
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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