[Pw_forum] Help!

[Suman Dhayal]

Dear Prof. Baroni,

Thank you so much for the guidance and the Book's name. Its very helpful.
And yes, sure I will include my affiliation in all the next posts and would
try to be more specific.

Thanks again,

Suman

On Thu, Nov 25, 2010 at 8:55 PM, Stefano Baroni <baroni at sissa.it> wrote:

> yes, using "supercells" (see a textbook in electronic-structure
> calculations, such as Martin's, to see what a supercell is). As suggested by
> others, please always sign your posts including your affiliation and use a
> less generic "subject" field. SB
>
> On Nov 25, 2010, at 9:07 AM, Suman Dhayal wrote:
>
> Hi,
>
> As far as I understand, we can use QE for solids. I am just wondering it is
> possible to do calculations for gaseous systems using QE? May be XSpectra
> calculations for example. I would appreciate any help and guidelines over
> it.
>
> Thanks,
>
> Suman
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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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>
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