[Wien] Help on Fermi Surface Plotting

Alex Animalu ibr32 at yahoo.com
Sun Mar 11 17:57:11 CET 2012


Dear Wien2k Users,
I am very new to WIEN2K and want to plot the Fermi surface following the instructions given in the UG. My question is on how to determine the x-len and y-len of the two directions of the plane (in bohr^-1). The UG said that this can be found in case.spaghetti_ene. Which line is this number located? Assuming my case.spaghetti_ene with total bandindex of 22 with the first band index is as shown below, how do I determine these two values from the data?
  bandindex:           1
   0.00000   0.00000   0.58630   0.00000 -48.67837
   0.03082   0.00000   0.58630   0.03082 -48.67836
   0.06165   0.00000   0.58630   0.06165 -48.67841
   0.09247   0.00000   0.58630   0.09247 -48.67856
   0.12329   0.00000   0.58630   0.12329 -48.67847
   0.15412   0.00000   0.58630   0.15412 -48.67836
   0.18494   0.00000   0.58630   0.18494 -48.67820
   0.21576   0.00000   0.58630   0.21576 -48.67802
   0.24659   0.00000   0.58630   0.24659 -48.67780
   0.27740   0.00000   0.58630   0.27740 -48.67755
   0.30822   0.00000   0.58630   0.30822 -48.67776
   0.33905   0.00000   0.58630   0.33905 -48.67676
   0.36987   0.00000   0.58630   0.36987 -48.67671
   0.40069   0.00000   0.58630   0.40069 -48.67815
   0.43152   0.00000   0.58630   0.43152 -48.67820
   0.46234   0.00000   0.58630   0.46234 -48.67822
   0.00000   0.02669   0.58630   0.77054 -48.67836
   0.03082   0.02669   0.58630   0.80137 -48.67844
   0.06164   0.02669   0.58630   0.83219 -48.67851
   0.09246   0.02669   0.58630   0.86301 -48.67845
   0.12329   0.02669   0.58630   0.89384 -48.67836
   0.15411   0.02669   0.58630   0.92466 -48.67834
   0.18493   0.02669   0.58630   0.95547 -48.67819
   0.21576   0.02669   0.58630   0.98630 -48.67801
   0.24658   0.02669   0.58630   1.01712 -48.67779
   0.27740   0.02669   0.58630   1.04794 -48.67788
   0.30823   0.02669   0.58630   1.07877 -48.67794
   0.33905   0.02669   0.58630   1.10959 -48.67675
   0.36987   0.02669   0.58630   1.14041 -48.67742
   0.40070   0.02669   0.58630   1.17124 -48.67732
   0.43152   0.02669   0.58630   1.20206 -48.67819
   0.46234   0.02669   0.58630   1.23288 -48.67821
   0.00000   0.05339   0.58630   1.54108 -48.67853
   0.03082   0.05339   0.58630   1.57190 -48.67841
   0.06164   0.05339   0.58630   1.60272 -48.67849
   0.09247   0.05339   0.58630   1.63354 -48.67843
 
Thank you very much in anticipation for your help
Alex A.
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