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<div class="moz-cite-prefix">Dear Bing,<br>
<br>
The multipication factor appears to be too small.<br>
<br>
<span style="RIGHT: auto">2 4 0.02 #
jatom, jtype, size of heavier plotting</span>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span style="RIGHT:
auto"></span> <br>
You should put a larger one, i.e.:<br>
<br>
<span style="RIGHT: auto">2 4 <big><b> 0.2 </b></big>
# jatom, jtype, size of heavier plotting<br>
<br>
One more point, did you do the following sequence:<br>
<br>
x lapw1 -band<br>
x lapw2 -band -qtl<br>
x spaghetti<br>
<br>
Indeed, you need a proper case.qtl file to plot the character
on the bands.<br>
<br>
Regards<br>
<br>
Xavier<br>
</span>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto"></span> <br>
</div>
<br>
</div>
<br>
<br>
Le 5/27/2013 1:19 PM, Bing Zhou a écrit :<br>
</div>
<blockquote
cite="mid:1369653549.34510.YahooMailNeo@web163906.mail.gq1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:12pt">
<div style="RIGHT: auto"><span style="RIGHT: auto">Dear Xavier,</span></div>
<div style="RIGHT: auto"><span style="RIGHT: auto">Many thanks
for your help! I changed TiC.insp file as suggested,
however, either "jatom" or "jtype" works at all. I copy the
TiC.insp file as following:</span></div>
<div style="RIGHT: auto"><span style="RIGHT: auto"></span> </div>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto">### Figure configuration<br>
5.0 3.0 # paper offset of plot<br>
10.0 15.0 # xsize,ysize [cm]<br>
1.0 4 # major ticks, minor
ticks<br>
1.0 1 # character height, font
switch<br>
1.1 0 0 # line width, line
switch, color switch<br>
### Data configuration <br>
-13.0 8.0 2 # energy range, energy
switch (1:Ry, 2:eV)<br>
1 0.74250 # Fermi switch,
Fermi-level (in Ry units)<br>
1 999 # number of bands for
heavier plotting 1,1<br>
2 4 0.02 # jatom, jtype, size of
heavier plotting</span></div>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto"></span> </div>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto">Could you please give me further
suggestions/comments?</span></div>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto"></span> </div>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto">Best wishes,</span></div>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto"></span> </div>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto">Bing</span></div>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto"><var id="yui-ie-cursor"></var></span> </div>
<div style="FONT-SIZE: 16px; RIGHT: auto; COLOR: rgb(0,0,0);
FONT-STYLE: normal; FONT-FAMILY: times new roman, new york,
times, serif; BACKGROUND-COLOR: transparent"><span
style="RIGHT: auto"> </span></div>
<div style="RIGHT: auto"><br style="RIGHT: auto">
</div>
<div style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman, new
york, times, serif">
<div style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman, new
york, times, serif">
<div dir="ltr" style="RIGHT: auto">
<font face="Arial" size="2"><b><span style="FONT-WEIGHT:
bold">From:</span></b> Rocquefelte
<a class="moz-txt-link-rfc2396E" href="mailto:xavier.rocquefelte@cnrs-imn.fr"><xavier.rocquefelte@cnrs-imn.fr></a><br>
<b><span style="FONT-WEIGHT: bold">To:</span></b> A
Mailing list for WIEN2k users
<a class="moz-txt-link-rfc2396E" href="mailto:wien@zeus.theochem.tuwien.ac.at"><wien@zeus.theochem.tuwien.ac.at></a> <br>
<b><span style="FONT-WEIGHT: bold">Sent:</span></b>
Monday, May 27, 2013 4:55:31 PM<br>
<b><span style="FONT-WEIGHT: bold">Subject:</span></b>
Re: [Wien] the parameter "jtype" in case.insp for
bandstructure seems not working<br>
</font></div>
<div class="y_msg_container" style="RIGHT: auto"><br
style="RIGHT: auto">
<meta http-equiv="x-dns-prefetch-control" content="off">
<div id="yiv1263361962" style="RIGHT: auto">
<div style="RIGHT: auto">
<div class="yiv1263361962moz-cite-prefix"
style="RIGHT: auto">You must also change the line
switch.<br>
<br>
### Figure configuration<br>
5.0 3.0 # paper offset of
plot<br>
10.0 15.0 # xsize,ysize
[cm]<br>
0.50 4 # major ticks,
minor ticks<br>
1.0 1 # character
height, font switch<br>
1.1 <b><big>0</big></b>
0 # line width,<b> line switch,</b>
color switch<br>
<br>
<br>
Line switch:<br>
0...dots<br>
1...lines<br>
2...lines and open circle<br>
3...lines and filled circles<br>
<br>
Only the line switch 0, 2 and 3 allows to see the
projected characters (s, p, d...).<br>
<br>
Best Regards<br>
<br>
Xavier<br>
<br>
<br>
<br>
Le 5/27/2013 5:41 AM, Bing Zhou a écrit :<br>
</div>
<blockquote type="cite">
<div style="FONT-SIZE: 12pt; COLOR: #000;
FONT-FAMILY: times new roman, new york, times,
serif; BACKGROUND-COLOR: #fff">
<div><span><br class="yiv1263361962yui-cursor">
</span></div>
<div>Dear all,</div>
<div style="FONT-SIZE: 12pt; FONT-FAMILY: times
new roman, new york, times, serif">
<div style="FONT-SIZE: 12pt; FONT-FAMILY: times
new roman, new york, times, serif">
<div class="yiv1263361962y_msg_container">
<div id="yiv1263361962">
<div>
<div style="FONT-SIZE: 12pt; COLOR:
#000; FONT-FAMILY: times new roman,
new york, times, serif;
BACKGROUND-COLOR: #fff">
<div>I try to plot bandstructure for
my minerals, and I used TiC as an
example to get myself familar to the
procedure, however, not matter what
"jtype" in TiC.insp is, only the
total bandstructure was shown
instead of p, s or d states I chose<var
id="yiv1263361962yui-ie-cursor"></var>.
<var id="yiv1263361962yui-ie-cursor"></var>Could
you please let me know how to make
"jtype" work?</div>
<div>Thank you in advance!</div>
<div>Bing</div>
<div> </div>
</div>
</div>
</div>
<br>
<br>
</div>
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