Added license and some more information on wiki startpage authored by Philipp Rüssmann's avatar Philipp Rüssmann
###### Perform Fermi surfaces calculations using pkkr code {#perform_fermi_surfaces_calculations_using_pkkr_code}
###### Perform Fermi surfaces calculations using pkkr code
The computation of Fermi surfaces, or band structures can be easily done
setting the *RUNOPTION* *qdos* (see [Qdos
......@@ -22,7 +22,7 @@ particularly transport ones. However, the \'qdos method\' allows to have
a first glance on the Fermi surface, before launching more accurate
computations with the pkkr code.
##### Fermi surface calculation {#fermi_surface_calculation}
##### Fermi surface calculation
The goal is to solve numerically the secular equation of KKR : \\\\
\$\|\\underline{\\underline{M}}(\\vec{k},E)\|=0 \$ where
......@@ -39,7 +39,7 @@ eigenvalue which satisfies the following condition
k-space, for a fixed energy \$E\$, and find
\$\\min\\limits\_{\\vec{k},\\nu}(\|\\lambda\_\\nu(\\vec{k},E)\|)\$.
##### Qualitative explanation of the iterative method {#qualitative_explanation_of_the_iterative_method}
##### Qualitative explanation of the iterative method
The main feature of this method is that the Brillouin zone, will be
divided into cubes and into each cube the secular equation
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