<div class=MsoNormal dir=ltr style="MARGIN: 0cm 0cm 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT face="Times New Roman" size=3>Dear wien2k users,</FONT></div> <div class=MsoNormal dir=ltr style="MARGIN: 0cm 0cm 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT face="Times New Roman" size=3>Thank you very much for your attentions and appreciate. I have used LDA+U approximation for take of calculations. I don't know whether PRATT and BROYD commands also mixing factor are the same or different in case.inm_st and case.orb. In other words, when I select BROYD with 0.1 mixing factor in case.inm_st, do I allow changing PRATT to BROYD with 0.1 mixing factor in case.orb.</FONT></div> <div class=MsoNormal dir=ltr style="MARGIN: 0cm 0cm 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT face="Times New Roman" size=3>Sincerely yours,</FONT></div> <div class=MsoNormal dir=ltr style="MARGIN: 0cm 0cm 0pt; DIRECTION: ltr; unicode-bidi:
embed; TEXT-ALIGN: left"><FONT size=3><FONT face="Times New Roman">H.A.Rahnama <SPAN style="mso-spacerun: yes"> </SPAN></FONT></FONT><SPAN style="mso-bidi-language: FA"><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></div><p> 
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