[Pw_forum] GW

Stefano Baroni baroni at sissa.it
Mon Jul 5 09:15:14 CEST 2010


it only means the the QE implementation of GW is supposed to be (much) faster thatn other competing GW implementation. Of course, this does not imply that GW is any faster than plain DFT calculations (it is actually much slower!). SB

On Jul 5, 2010, at 2:41 AM, Q.J.Wang wrote:

> Dear all
>      I have a problem about the GW method. In the forum, I found some people said GW allows to address large systems (a few hundreds of atoms).But I don't know where ? We know the course of computing the GW quasi-particle  energies is  the following :
> 1. pw.x
> 2. pw4gww.x
> 3. gww.x
> If we want to calculate a large system, we must optimized it first with pw.x which is still time-consuming. So I want to know what makes the GW code can calculate the large system and where it reflects in the course of using GW code ?
>  
> --
> Best regards
>  
> Q.J.Wang
>  
> XiangTan University
> 
> 
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
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