Dear Prof. Baroni,<br><br>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. <br><br>Thanks again,<br>
<br>Suman<br><br><div class="gmail_quote">On Thu, Nov 25, 2010 at 8:55 PM, Stefano Baroni <span dir="ltr"><<a href="mailto:baroni@sissa.it">baroni@sissa.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div style="word-wrap: break-word;">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<div>
<br><div><div><div></div><div class="h5"><div>On Nov 25, 2010, at 9:07 AM, Suman Dhayal wrote:</div><br></div></div><blockquote type="cite"><div><div></div><div class="h5">Hi,<br><br>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.<br>
<br>Thanks,<br><br>Suman <br></div></div><div class="im">
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