<div class=MsoNormal style="MARGIN: 5pt 0cm; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left; mso-pagination: none; mso-layout-grid-align: none"><FONT size=3><FONT face="Times New Roman"><I>Dear PWscf users, </I></FONT></FONT></div> <div class=MsoNormal style="MARGIN: 5pt 0cm; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left; mso-pagination: none; mso-layout-grid-align: none"><FONT size=3><FONT face="Times New Roman"><SPAN style="FONT-SIZE: 12pt; FONT-FAMILY: 'Times New Roman'; mso-ansi-language: EN-US; mso-fareast-font-family: 'Times New Roman'; mso-fareast-language: EN-US; mso-bidi-language: AR-SA">first, I would like to thank prof baroni for it reply .</SPAN></FONT></FONT></div> <div class=MsoNormal style="MARGIN: 5pt 0cm; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left; mso-pagination: none; mso-layout-grid-align: none"><FONT size=3><FONT face="Times New Roman"><I>second, I have a question about optimization of an monoclinic<SPAN
style="mso-spacerun: yes"> </SPAN>structure, so to do that have I to optimize c/a, V, b/a, V, ...., c/a,<SPAN style="mso-spacerun: yes"> V</SPAN>, in SCF manner until convergence of the structure or can I<SPAN style="mso-spacerun: yes"> </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; mso-pagination: none; mso-layout-grid-align: none"><FONT size=3><FONT face="Times New Roman"><I><SPAN lang=FR style="mso-ansi-language: FR">Thank you in advance </SPAN></I></FONT></FONT><SPAN lang=FR style="mso-ansi-language: FR"><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></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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