<div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Dear WIEN community,</FONT></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>I am a new WIEN user. I am using the latest version of the code under Fedora core 3. We have optimized our case using the optimize.job script. We would now plot the density of states (DoS) for all of the structures. We can do it for the last structure used in the optimize.job. We wonder how it is possible to do it for the other structures, say before last one used in the optimize.job. Please notice that we forgot to include the following command in the optimize.job:</FONT></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>save_lapw<SPAN style="mso-spacerun: yes"> </SPAN>-f -d XXX $i </FONT></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Therefore, we have lost the generated
linearization energies employing –in1new flag in the case.in1 file for the previous structures; we have it only for the last structure.</FONT></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>I would be thankful to every one who can give us any suggestions to overcome the above problem.</FONT></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></div> <div class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>M.
Ilkhani</FONT></FONT></div><p> __________________________________________________<br>Do You Yahoo!?<br>Tired of spam? Yahoo! Mail has the best spam protection around <br>http://mail.yahoo.com