[Wien] Reg: 2D Fermisurface plots

[Peter Blaha]

I do not know which option you used in sc_fs_mesh.

But look into your klist file:
I can see that you vary the kz direction first, with steps 1/60
So the number of meshpoints in "x-dir" is presumably 31  (up to 30/60)
The length is 2pi/c *1/2
Now do the same for "y" ....., which migth be more "difficult" since you 
go into 110 direction....

And your klist and spaghetti_ene file do not fit together.
You have only 13 values with (0,0,z), but at least 15 in klist ???

Am 14.02.2012 14:04, schrieb Swetarekha Ram:
> Dear Prof. Blaha and Wien2k users,
>
>                      Can any one help me how to plot 2D Fermi suI can see that you vary the zkz-coordinaterface.
> My system is the cubic system, so I am using the the script  sc_fs_mesh
> as available in wien2k. I tried according to the manual, but I have the
> doubt, that how  to give x-len and y-len on the top of the
> case.spaghetti_ene file.
>
> I have seen the previous mailing list, where some people asked the same
> doubt.
> According to those mail explanation , I am thinking my x-len = 0.33907,
> But what about my  y-len value?
> If I am taking the x-len and y-len values = 0.33907 like below , I am
> getting error:
> 16, 11, 0.33907,?, 31,21,0,0
> error reading file. Propably wrong mesh
>
> Here I am attaching  the few lines of my case.spaghetti_ene and the
> case.klist file,
>
>
>
> and my case.klist file is like
>   1    0    0    0   60 1.00-7.00 1.50       16  11
>           2    0    0    1   60 1.00
>           3    0    0    2   60 1.00
>           4    0    0    3   60 1.00
>           5    0    0    4   60 1.00
>           6    0    0    5   60 1.00
>           7    0    0    6   60 1.00
>           8    0    0    7   60 1.00
>           9    0    0    8   60 1.00
>          10    0    0    9   60 1.00
>          11    0    0   10   60 1.00
>          12    0    0   11   60 1.00
>          13    0    0   12   60 1.00
>          14    0    0   13   60 1.00
>          15    0    0   14   60 1.00
>
> and case.spaghetti_ene file is like
>
>   0.00000   0.00000   0.00000   0.00000 -32.92302
>     0.00000   0.00000   0.02826   0.02826 -32.92296
>     0.00000   0.00000   0.05651   0.05651 -32.92281
>     0.00000   0.00000   0.08477   0.08477 -32.92257
>     0.00000   0.00000   0.11303   0.11303 -32.92229
>     0.00000   0.00000   0.14128   0.14128 -32.92193
>     0.00000   0.00000   0.16953   0.16953 -32.92155
>     0.00000   0.00000   0.19779   0.19779 -32.92117
>     0.00000   0.00000   0.22604   0.22604 -32.92081
>     0.00000   0.00000   0.25430   0.25430 -32.92050
>     0.00000   0.00000   0.28256   0.28256 -32.92027
>     0.00000   0.00000   0.31081   0.31081 -32.92012
>     0.00000   0.00000   0.33907   0.33907 -32.92005
>     0.02826   0.02826   0.00000   0.62165 -32.92291
>     0.02826   0.02826   0.02826   0.64991 -32.92285
>     0.02826   0.02826   0.05651   0.67816 -32.92271
>     0.02826   0.02826   0.08477   0.70642 -32.92249
>     0.02826   0.02826   0.11303   0.73468 -32.92218
>     0.02826   0.02826   0.14128   0.76293 -32.92184
>     0.02826   0.02826   0.16953   0.79119 -32.92146
>     0.02826   0.02826   0.19779   0.81944 -32.92108
>  From this which values i should take for x-len and y-len ?
>
>
>
>
> So, please help me to come out from this error.
>
> --
> Swetarekha Ram,
>
>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671