[Pw_forum] About GWW

[Goranka Bilalbegovic]

On Mon, May 31, 2010 at 6:34 PM, Goranka Bilalbegovic <
gbilalbegovic at gmail.com> 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
>
>
> In addition, there is a "GWW_examples" directory in "examples":
http://qe-forge.org/frs/download.php/95/espresso-4.2-examples.tar.gz

There you may find:

example01 computes the GW quasi-particle energies in C6H6 (Benzene
molecule)

example02 computes the GW quasi-particle energies in bulk Si (extended
system)

example03 computes the orbital decomposition of the total GWW density of
states in C6H6 (Benzene molecule)



-- 
Goranka Bilalbegovic,
Department of Physics, Faculty of Science,
University of Zagreb, Croatia
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