<html><body><div style="font-family: arial, helvetica, sans-serif; font-size: 12pt; color: #000000"><div>thank you very much for your answer, i try it.but i set cell_dofree='2Dxy' , because i need to fix cell parameter. in z direct. </div><div><br data-mce-bogus="1"></div><div></div><div data-marker="__HEADERS__"><b>From: </b>"Giovani Rech" <gio.pi.rech@gmail.com><br><b>To: </b>"Quantum Espresso users Forum" <users@lists.quantum-espresso.org><br><b>Sent: </b>Friday, May 24, 2019 3:51:59 PM<br><b>Subject: </b>Re: [QE-users] vc-relax<br></div><br><div data-marker="__QUOTED_TEXT__"><div dir="ltr"><div class="gmail_default" style="font-family: trebuchet ms,sans-serif; font-size: small;" data-mce-style="font-family: trebuchet ms,sans-serif; font-size: small;">Hi Sabike,</div><div class="gmail_default" style="font-family: trebuchet ms,sans-serif; font-size: small;" data-mce-style="font-family: trebuchet ms,sans-serif; font-size: small;">Try using cell_dofree = 'ibrav' in your input file. You can find the explanation of this option in the <a href="https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm1023" target="_blank">pw.x input description</a>.</div><div class="gmail_default" style="font-family: trebuchet ms,sans-serif; font-size: small;" data-mce-style="font-family: trebuchet ms,sans-serif; font-size: small;"><br></div><div class="gmail_default" style="font-family: trebuchet ms,sans-serif; font-size: small;" data-mce-style="font-family: trebuchet ms,sans-serif; font-size: small;">Giovani Rech,</div><div class="gmail_default" style="font-family: trebuchet ms,sans-serif; font-size: small;" data-mce-style="font-family: trebuchet ms,sans-serif; font-size: small;">Universidade de Caxias do Sul</div><div class="gmail_default" style="font-family: trebuchet ms,sans-serif; font-size: small;" data-mce-style="font-family: trebuchet ms,sans-serif; font-size: small;">Caxias do Sul, Brazil</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, May 24, 2019 at 7:22 AM Sabike Ghasemi <<a href="mailto:s.ghasemi@du.ac.ir" target="_blank">s.ghasemi@du.ac.ir</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin: 0px 0px 0px 0.8ex; border-left: 1px solid #cccccc; padding-left: 1ex;" data-mce-style="margin: 0px 0px 0px 0.8ex; border-left: 1px solid #cccccc; padding-left: 1ex;"><div><div style="font-family: arial,helvetica,sans-serif; font-size: 12pt; color: #000000;" data-mce-style="font-family: arial,helvetica,sans-serif; font-size: 12pt; color: #000000;"><div>hi all,<br></div><div>I did vc-relax for a tetragonal crystal structure, after diong it, structure convert to orthorhombic. do it is correct?<br></div><div>i expect stucture be tetragonal after vcrelax.<br></div><br><br><br><br><div>phd student,damghan university,iran<br></div><div>sabike ghasemi<br></div></div></div>_______________________________________________<br>
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