<blockquote class="gmail_quote" style="margin-top:0px;margin-right:0px;margin-bottom:0px;margin-left:0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">Note that in Quantum-Espresso the meaning of "alat" is extended/misused<br>
in case of custom-lattice specification (ibrav=0), because in this case<br>alat refers to units of celldm(1) and not to units of "length of a<br>lattice vector".</blockquote><div><br></div><div> </div> Yes, there is a difference between the "alat" in Quantum Espresso and XCrysden when "ibrav=0" is used.<div>
And I meant may be it should be considered by XCrysden when reads such cases. Best Wishes, m<br> <br><br><br>----------------------------------------<br>Masoud Nahali, Ph. D Student<br>
International School for Advanced Studies (SISSA)<br>Sharif University of Technology<br><a href="mailto:masoud.nahali@gmail.com" target="_blank">masoud.nahali@gmail.com</a> <br><a href="http://alum.sharif.edu/~m_nahali" target="_blank">alum.sharif.edu/~m_nahali</a> <br>
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