<div>Prof. Giannozzi,</div>
<div> </div>
<div>It should be press=720 ! 72GPa. </div>
<div>By the way, what are the values of ave, avec, e, eal, p, tv files in the vc-md calculations.</div>
<div> </div>
<div>Sincerely yours,</div>
<div>WANG<br><br><br><br></div>
<div class="gmail_quote">On 30 June 2011 23:19, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span> wrote:<br>
<blockquote style="BORDER-LEFT: #ccc 1px solid; MARGIN: 0px 0px 0px 0.8ex; PADDING-LEFT: 1ex" class="gmail_quote"><br>On Jun 30, 2011, at 14:08 , WANG Wei wrote:<br><br>> press = 72000000.0D0, ! 72GPa<br><br>really?<br>
<br>---<br>Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br><br><br><br>_______________________________________________<br>
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