[Wien] Reg: 2D Fermisurface plots

Swetarekha Ram swetarekharam at gmail.com
Tue Feb 14 14:04:25 CET 2012


Dear Prof. Blaha and Wien2k users,

                    Can any one help me how to plot 2D Fermi surface. 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


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