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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D">Hi,<o:p></o:p></span></p>
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color:#1F497D"><o:p> </o:p></span></p>
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color:#1F497D">That would be cell_dofree in &CELL:<o:p></o:p></span></p>
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color:#1F497D"><a href="http://www.quantum-espresso.org/input-syntax/INPUT_PW.html#id3902439">http://www.quantum-espresso.org/input-syntax/INPUT_PW.html#id3902439</a><o:p></o:p></span></p>
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color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D">Mike<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D"><a href="mailto:michael@ihpc.a-star.edu.sg">michael@ihpc.a-star.edu.sg</a><o:p></o:p></span></p>
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color:#1F497D"><a href="http://www.sullivan.sg/">http://www.sullivan.sg/</a>
<o:p></o:p></span></p>
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color:#1F497D"><o:p> </o:p></span></p>
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<p class="MsoNormal"><b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> pw_forum-bounces@pwscf.org [mailto:pw_forum-bounces@pwscf.org]
<b>On Behalf Of </b>Mohammad Saghayezhian<br>
<b>Sent:</b> Thursday, August 26, 2010 5:36 PM<br>
<b>To:</b> pw_forum@pwscf.org<br>
<b>Subject:</b> [Pw_forum] constraint vc-relax<o:p></o:p></span></p>
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<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal" style="margin-bottom:12.0pt">Dear All,<br>
I want to relax the lattice parameters of a orthorhombic lattice, but one of parameters should be hold fixed and the remaining 2 are free to relax.<br>
how can i perform this task in PWscf?<br>
<br>
Any help would be appreciated.<br>
<br>
Regards. <br>
<br clear="all">
<br>
-------------------------------------------------------------------<br>
Mohammad Saghayezhian<br>
Computational Condensed Matter Research Lab<br>
Physics Department, Isfahan University of Technology, Isfahan, Iran<br>
<br>
Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746 <br>
-------------------------------------------------------------------<o:p></o:p></p>
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