[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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