[Wien] (no subject)

[Peter Blaha]

I hope you have changed the "0" with the atom-number you want to emphasisze.

And: For a large cell with rather delocalized electrons it might be that 
you have to enlarge the size parameter considerable. Try, just for fun, 
0.2 --> 5.0 and check if you see anything.

PS: I assume, that   x spaghetti    does not give any message about 
enf-of-file of case.qtl, .... ?

Am 23.11.2015 um 20:21 schrieb mitra narimani:
> I  used number 2 for line switch, the problem of my band structure is
> that in line
> 0  1   0.2   # jatom, jtype, size of heavier plotting
> when I change the jatom or jtype or size of heavior plotting, my band
> structure doesnt have any change and remain same as defult and s, p, d,
> f characters not be shown, however I run x lapw2 -p -c -so -band -qtl.My
> case has 96 atoms with impurity doped it by 3%. Is the version 14.2 able
> to solve this problem which you suggest me befor?
>
>
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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