<FORM name=frmAddAddrs action=http://address.mail.yahoo.com/yab/fr?v=YM&.rand=76276&A=m&simp=1 method=post><FONT size=3><FONT face="Times New Roman"><I>Dear PWscf users, </I></FONT></FONT></FORM> <DIV class="msgbody clearfix" id=message584608283767130909568239962941399878oSOYkYn4Ur6Rg9euJfSMZ2XOXMvy9M8u1Y0f6sq6HJJumiyMZWUErv6BCuhwdVlrS3nFHXADyAStbgepX8Z4GIMbw61INiDY2RptxVR6kKYB3vFPdQX1KPqWTDNXKjBS9uSYhWp2E7wSL6OCop3iYEvpnbFncQbsmlRg style="VISIBILITY: visible"> <DIV id=yiv1984747846> <DIV class=MsoNormal style="MARGIN: 5pt 0cm; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT size=3><FONT face="Times New Roman"><I>I have a question about optimization of an monoclinic<SPAN> </SPAN>structure, so to do that have I to optimize c/a, V, b/a, V, ...., beta,<SPAN> V</SPAN>, in SCF manner until convergence of the structure or can I<SPAN> </SPAN>perform just one c/a, b/a, V optimization ? How can I to optimize i.e. beta angel?
Any comments are welcome. </I></FONT></FONT></DIV> <DIV class=MsoNormal style="MARGIN: 5pt 0cm; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT size=3><FONT face="Times New Roman"><I><SPAN lang=FR>Thank you in advance </SPAN></I></FONT></FONT><SPAN lang=FR></SPAN></DIV><BR><BR></DIV></DIV><BR><BR>=======================================================<BR>Fatma Litimein <BR>Computational Materials Science Laboratory,<BR>Physics Department, University of Sidi Bel Abbes<BR>Sidi Bel Abbes, 22000 - Algeria<BR>Tel:+213 48-54-95-46 Fax:+213 48-54-19-28 <A href="mailto:flitimein@yahoo.fr">flitimein@yahoo.fr</A><BR>=======================================================<p> 
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