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Dear Nicola:<BR>
The lattice parameter from output is:<BR>
<P style="MARGIN: 0cm 0cm 0pt" class=MsoPlainText><SPAN style="mso-hansi-font-family: 宋体; mso-bidi-font-family: 宋体" lang=EN-US><FONT size=3 face=宋体>CELL_PARAMETERS (alat=<SPAN style="mso-spacerun: yes"> </SPAN>5.07500000)<BR><SPAN style="mso-spacerun: yes"> </SPAN>1.000458212<SPAN style="mso-spacerun: yes"> </SPAN>0.000000000<SPAN style="mso-spacerun: yes"> </SPAN>0.000000000<BR><SPAN style="mso-spacerun: yes"> </SPAN>-0.500229106<SPAN style="mso-spacerun: yes"> </SPAN>0.866422227<SPAN style="mso-spacerun: yes"> </SPAN>0.000000000<BR><SPAN style="mso-spacerun: yes"> </SPAN>0.000000000<SPAN style="mso-spacerun: yes"> </SPAN>0.000000000<SPAN style="mso-spacerun: yes"> </SPAN>1.636876279</FONT></SPAN></P>
<P style="MARGIN: 0cm 0cm 0pt" class=MsoPlainText><SPAN style="mso-hansi-font-family: 宋体; mso-bidi-font-family: 宋体" lang=EN-US><FONT size=3 face=宋体>It means </FONT></SPAN></P>
<P style="MARGIN: 0cm 0cm 0pt" class=MsoPlainText><SPAN style="mso-hansi-font-family: 宋体; mso-bidi-font-family: 宋体" lang=EN-US><FONT size=3 face=宋体> acosx/5.075 acosy/5.075 acosz/5.075</FONT></SPAN></P>
<P style="MARGIN: 0cm 0cm 0pt" class=MsoPlainText><SPAN style="mso-hansi-font-family: 宋体; mso-bidi-font-family: 宋体" lang=EN-US><FONT size=3 face=宋体> bcosx/5.075 bcosy/5.075 bcosz/5.075</FONT></SPAN></P>
<P style="MARGIN: 0cm 0cm 0pt" class=MsoPlainText><SPAN style="mso-hansi-font-family: 宋体; mso-bidi-font-family: 宋体" lang=EN-US><FONT size=3 face=宋体> cosx/5.075 ccosy/5.075 ccosz/5.075</FONT></SPAN></P>
<P style="MARGIN: 0cm 0cm 0pt" class=MsoPlainText><SPAN style="mso-hansi-font-family: 宋体; mso-bidi-font-family: 宋体" lang=EN-US><FONT size=3 face=宋体></FONT></SPAN> </P>
<P style="MARGIN: 0cm 0cm 0pt" class=MsoPlainText><SPAN style="mso-hansi-font-family: 宋体; mso-bidi-font-family: 宋体" lang=EN-US><FONT size=3 face=宋体>Last example is:</FONT></SPAN></P>
<P style="MARGIN: 0cm 0cm 0pt" class=MsoPlainText><SPAN style="mso-hansi-font-family: 宋体; mso-bidi-font-family: 宋体" lang=EN-US><FONT size=3 face=宋体> a=1.000458212*5.075,</FONT></SPAN></P>
<P style="MARGIN: 0cm 0cm 0pt" class=MsoPlainText><SPAN style="mso-hansi-font-family: 宋体; mso-bidi-font-family: 宋体" lang=EN-US><FONT size=3 face=宋体> c=</FONT></SPAN>1.636876279*5.075<BR><BR>Yun Song,Kang<BR>Department Physical Science and Technology of Inner Mongolia University.<BR> </P>
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Date: Tue, 1 Nov 2011 10:19:55 -0200<BR>From: arvifis@gmail.com<BR>To: pw_forum@pwscf.org<BR>Subject: Re: [Pw_forum] Structural properties<BR><BR>Dear Nicolar, what kind of calculate are you doing..?? relax or vc-relax ..??<BR><BR>Please write your affiliation <BR><BR>PhD std Arles V. Gil Rebaza<BR>IFLP - Argentina<BR><BR>
<DIV class=ecxgmail_quote>2011/11/1 nicolas bruno <SPAN dir=ltr><<A href="mailto:nbruno014@gmail.com">nbruno014@gmail.com</A>></SPAN><BR>
<BLOCKQUOTE style="BORDER-LEFT: #ccc 1px solid; PADDING-LEFT: 1ex" class=ecxgmail_quote>Dear all,<BR><BR>I am a new user of QE and I want to calculate the structural<BR>properties for AlN, could someone direct me for this in particular how<BR>interpret the output to get the lattice parameter?<BR>Thanks in advance.<BR>_______________________________________________<BR>Pw_forum mailing list<BR><A href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</A><BR><A href="http://www.democritos.it/mailman/listinfo/pw_forum" target=_blank>http://www.democritos.it/mailman/listinfo/pw_forum</A><BR></BLOCKQUOTE></DIV><BR><BR clear=all><BR>-- <BR>###---------> Arles V. <---------###<BR><BR>_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum</DIV> </div></body>
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