<div dir="auto"><div data-smartmail="gmail_signature" dir="auto"><br></div><div class="gmail_quote" dir="auto"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><p>Do we need to mention cell_dofree in the case of calculation = "relax" ?</p></div></blockquote></div><div dir="auto">No</div><div class="gmail_quote" dir="auto"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><p>I need to relax only the atomic positions so I chose calculation = "relax", but it is written in the input file description of pw.x that the default value for cell_dofree is "all" or this only if vc-relax is chosen ?</p></div></blockquote></div><div dir="auto">Yes</div><div class="gmail_quote" dir="auto"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><p>And when I run two calculations 1st with "vc-relax" and the 2nd with "relax" it is taking the same time while I expected "relax" to be faster<br></p></div></blockquote></div><div dir="auto">It depends</div><div class="gmail_quote" dir="auto"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><p></p><p>Thank you</p><p>Best Regards<br></p><p></p></div></blockquote></div><div dir="auto"><br></div><div dir="auto">Regards</div><div dir="auto"><br></div><div dir="auto"><br></div><div class="gmail_quote" dir="auto"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><p><br></p><div name="gwSign"><p><span style="color:rgb(0,37,222);font-family:Calibri,sans-serif;font-size:10pt;background-color:rgb(255,255,255)">Houcine BOUZID </span></p><p><span style="color:rgb(0,37,222);font-family:Calibri,sans-serif;font-size:10pt;background-color:rgb(255,255,255)">Sungkyunkwan University, <br>Korea </span></p><span style="color:rgb(0,173,254);font-family:Calibri,sans-serif;font-size:9pt;background-color:rgb(255,255,255)"></span><p> </p></div><img src="http://ptmsg.skku.edu/emate_app/ematemdn.nsf/mdnform?OpenForm&sender=bouzid@skku.edu&receiver=users@lists.quantum-espresso.org&key=FBE90BFF9BD1251B492584DA00213295" width="0" height="0" border="0"></div>_______________________________________________<br>
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