[Wien] need help on plotting band structure

[venkatesh chandragiri]

Dear Gavin,

thanks for your prompt reply,

To make sure whether 3rd column is indicating the size/fatness of the
bands, i create the case.insp with two different input configurations in
line number # 11. (keeping all are same except line # 11)

As specified in the case.insp file line number # 11,

0      1    0.5                    # jatom, jtype, size  of heavier plotting

1     4     0.5                     # jatom, jtype, size  of heavier
plotting


For the first case (Plotting total), i got same number (0.07000) for the
3rd column from first band index to last band index. But, for the second
case (Plotting Px for atom # 1), i got several numbers in the 3rd column in
which some of the numbers are repeating for several band indexes.

Hence, is the 3rd column indicates the fatness of the bands..?

If yes, i have another question, by seeing these numbers in the 3rd column,
how can i recognize my type of projected bands (total,s,p,px,py,pz,d...)...?


I have another problem in plotting the band structure using w2web. Here,
though i have created case.insp with two configurations in line # 11, the
observed figure is looks same in these two cases. In the First case it
shows the total bands in the figure, while in the second case, as i
mentioned to plot Px only, it should plot the Px-bands only. But, why in
the second case also plots all the bands..... After editing the case.insp,
i run x spaghetti up each time...but in two cases i got same figure. can
you help me to find out the bug...?


thanks for your help,

regrads,

venkatesh

----------------------------

what is the meaning of these number in the 3rd column in the
case.bandsup/dn.agr file.

I think these are the circle sizes, which are used to indicate the fatness
of the bands.

______________



Ch. Venkatesh,
C/o. Prof. V. Srinivas & Dr. S. K. Srivastava
Department of Physics & Meteorology,
IIT Kharagpur.
ph: +91-3222-283848 (Lab)
      +919445909693