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<P>Yes, I set it 1.1 2 4 in the *.inst file,but it still draw the line not circle. I dont know the reason.<BR></P></DIV>-------------------------------------------------------------------
<DIV></DIV>Address: National Synchrotron Radiation Laboratory,
<DIV></DIV>HeFei, AnHui,China
<DIV></DIV>PHone: 086-0551-3602087
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<DIV></DIV>
<DIV></DIV>
<DIV></DIV>>From: "Mr C.A. Bridges" <CBRIDGES@LIVERPOOL.AC.UK>
<DIV></DIV>>Reply-To: wien@zeus.theochem.tuwien.ac.at
<DIV></DIV>>To: wien@zeus.theochem.tuwien.ac.at
<DIV></DIV>>Subject: Re: [Wien] Bandstructure with band character plotting?
<DIV></DIV>>Date: Thu, 13 Nov 2003 09:10:39 +0000 (GMT)
<DIV></DIV>>
<DIV></DIV>>
<DIV></DIV>>Hello,
<DIV></DIV>>Please also check this line in the *.insp file.
<DIV></DIV>>
<DIV></DIV>> 1.1 2 4 # line width, line switch, color switch
<DIV></DIV>>
<DIV></DIV>>The line switch must NOT be 1. Set to 2 or 3 to see circles (and get
<DIV></DIV>>the character plot).
<DIV></DIV>>
<DIV></DIV>>Note that later in the file there is:
<DIV></DIV>>
<DIV></DIV>>Line switch:
<DIV></DIV>> 0...dots
<DIV></DIV>> 1...lines
<DIV></DIV>> 2...lines and open circle
<DIV></DIV>> 3...lines and filled circles
<DIV></DIV>>
<DIV></DIV>>Regards,
<DIV></DIV>>Craig
<DIV></DIV>>
<DIV></DIV>>
<DIV></DIV>>
<DIV></DIV>>On Wed, 12 Nov 2003, Lukasz Plucinski wrote:
<DIV></DIV>>
<DIV></DIV>> >> I am caculating the surface of GaN (1010) surface using a slab
<DIV></DIV>> >> model. When I get a bandstructure of this surface, I want to select the
<DIV></DIV>> >> surface sates bands, so I use the bandstructure with band character
<DIV></DIV>> >> plotting. I have set the jatom and jtype in the *.insp file,
<DIV></DIV>> >> but I got a bandstructure without character plotting. I cant understand
<DIV></DIV>> >> it. I using the WIEN2K02. Would you please to help me resolve this
<DIV></DIV>> >> problem?
<DIV></DIV>> >
<DIV></DIV>> >Hello,
<DIV></DIV>> >
<DIV></DIV>> >Probably I can't help much, just 2 notes:
<DIV></DIV>> >
<DIV></DIV>> >1. Simplest stupid guess: did you calculate
<DIV></DIV>> >
<DIV></DIV>> >x lapw2 -band -qtl -c (Calculate partial charges ("qtl"-file))
<DIV></DIV>> >
<DIV></DIV>> >before editing *.insp file and running spaghetti?
<DIV></DIV>> >
<DIV></DIV>> >2. I know one paper somehow related to your subject: Wichert et al. Phys.
<DIV></DIV>> >Stat. Sol. 215, 751 (1999).
<DIV></DIV>> >
<DIV></DIV>> >Regards,
<DIV></DIV>> >
<DIV></DIV>> >Lukasz
<DIV></DIV>> >
<DIV></DIV>> >_______________________________________________
<DIV></DIV>> >Wien mailing list
<DIV></DIV>> >Wien@zeus.theochem.tuwien.ac.at
<DIV></DIV>> >http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
<DIV></DIV>> >
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