[Pw_forum] GW

[Geoffrey Stenuit]

Dear XiangTan,

It is exactly this.

The general sequence of binaries for computing the GW quasi-particle  
energies is  the following (in a molecule):
1. pw.x
2. pw4gww.x
3. gww.x

Actually, the pw4gww.x binary will read the prefix.save directory and  
the prefix.wfc files generated in the first step by pw.x. It is the  
.save directory that control for example the number of atoms,... for  
pw4gww.x .

The gww.x binary will then act as a post-processing of pw4gww.x...

This is the overall approach of "how to use this GW code".

Thanks for your remark,

Regards,

Joe


Quoting wangqj1 <wangqj1 at 126.com>:

>
> Dear Joe and Paolo
>      In Pw_forum Digest, Vol 26, Issue 34 you said that the code   
> (GWW) which allows to address large systems (a few hundreds of   
> atoms). But on the webpage http://gww.qe-forge.org/ ,I don't which   
> flag control the number of atoms in the namelist,it looks as a   
> postprograme and read the information from the PW scf .
>      Thanks for your help .
> Best wishes
> Q J Wang
> XiangTan University
>
>
>
>



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