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<DIV>hi </DIV>
<DIV>you should increase emax at the end of case.in1 file , by default it is 1.5 or 2.0 in new version, and </DIV>
<DIV> increase it to 2.5 or 3.0 and run_lapw again <BR> hope you understand it .</DIV>
<DIV>regards</DIV>
<DIV> </DIV>Y. Saeed<BR>Present Address:<BR>Ph. D scholar (Physics)<BR>Institute of Physical Biology<BR>University of South Bohemia, Nove Hrady<BR>37333, Czech Republic<BR>Mobile: 00420 775 918 406<BR>Office: 00420 389 033 843<BR>website: www.greentech.cz & www.ufb.jcu.cz
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<DIV>Parmanent Address:<BR>Lecturer / Research Associate<BR>Department of Physics<BR>GC University, Faisalabad, Pakistan<BR>Cell:+92 345 4041865<BR>Off: +92 41 9201372<BR>Fax: +92 41 9200671<BR>Email: yasir_saeed54321@yahoo.com<BR>Web : www.gcuf.edu.pk/
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<B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Lukasz Plucinski <pluto@physics.ucdavis.edu><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Thu, August 26, 2010 1:40:17 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> [Wien] Bands above the Fermi edge<BR></FONT><BR>Hello,<BR><BR>I need to calculate band structure up to 20 eV above the Fermi edge.<BR><BR>Could you please let me know which parameters in initialization, SFC, and Bandstrucure should be increased to make this properly ?<BR><BR>Regards,<BR>Lukasz<BR>_______________________________________________<BR>Wien mailing list<BR><A href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</A><BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR></DIV></DIV></DIV></div><br>
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