[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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