<html><head><meta http-equiv="Content-Type" content="text/html charset=iso-8859-1"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">Dear Sapna,<div><br></div><div>Easy answer: have a look at the numerous examples given in the QE distribution. Run the examples, learn the logic of the keywords.</div><div><br></div><div>Best regards</div><div>Pascal</div><div><br><div><div>Le 10 août 2015 à 07:49, sapna bondwal <<a href="mailto:sapna.9305bondwal@gmail.com">sapna.9305bondwal@gmail.com</a>> a écrit :</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr"><br clear="all"><div><span style="font-size:12.8000001907349px">Dear all,</span><br style="font-size:12.8000001907349px"><br style="font-size:12.8000001907349px"><span style="font-size:12.8000001907349px">I want someone to give me the gist of all properties that can be calculated</span><br style="font-size:12.8000001907349px"><span style="font-size:12.8000001907349px"> and all physical quantities that can be obtained by using pw.x executable.</span><br style="font-size:12.8000001907349px"><span style="font-size:12.8000001907349px">I am interested in nanosystems. I have seen supercell approach written in</span><br style="font-size:12.8000001907349px"><span style="font-size:12.8000001907349px">every paper but I want to make it clear what it actually is? How do we use</span><br style="font-size:12.8000001907349px"><span style="font-size:12.8000001907349px">it for doing structural optimization of nanosystem? I expect some simple</span><br style="font-size:12.8000001907349px"><span style="font-size:12.8000001907349px">examples which can clarify the basic approach.</span><span style="font-size:12.8000001907349px"> </span></div>-- <br><div class="gmail_signature"><div dir="ltr"><div><br></div>Sapna Bondwal<div>Research Scholar</div><div>IIT ROORKEE<br><div><br></div></div></div></div>
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