[Wien] Band structure
Mojtaba Zareii
smojtaba.zareii at gmail.com
Sun Nov 16 15:01:21 CET 2008
Hi dear Wien2K users
i am studing "Gd2PdSi3" intermetallic compound and trying to plot band
structure for "Pd 5s,5p" states .For this purpose; i edited "case.insp"
file as following:
As "Pd" is 3th atom, i selected "j atom" equal to 3 and selected " j
Type" equal to 2,3 for "Pd 5s" , "Pd5p" states, respectively.
However all of my figures are alike and there isn't any difference among
them.
can you help me?( case.insp file is as following:)
------------------------------------------------------------------------------
### Figure configuration
5.0 3.0 # paper offset of plot
10.0 15.0 # xsize,ysize [cm]
1.0 4 # major ticks, minor ticks
1.0 1 # character height, font switch
1.1 2 4 # line width, line switch, color switch
### Data configuration
-14.0 0 2 # energy range, energy switch (1:Ry, 2:eV)
1 0.22312 # Fermi switch, Fermi-level (in Ry units)
1 999 # number of bands for heavier plotting
1,1
*3 3* 0.0 # *jatom, jtype*, size of heavier
plotting
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