[Wien] Band structure

[Hong Jiang]

Hi Mojtaba,
Have you first run lapw2 with "-qtl" before you run spaghetti ? (check 
the User Guide about spaghetti)
 
  Hong


Mojtaba Zareii wrote:
> 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  
>
>  
>
>  
>
>
> ------------------------------------------------------------------------
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>