Fix some links authored by Philipp Rüssmann's avatar Philipp Rüssmann
###### Perform Fermi surfaces calculations using PKKprime code
# Perform Fermi surfaces calculations using PKKprime code
The computation of Fermi surfaces, or band structures can be easily done
setting the *RUNOPTION* *qdos* (see [Qdos tutorial](jumu/qdos "wikilink")). The "qdos approach" is based on the scan of the k-space for a given energy (or different energy values if we are interested on band-structure calculations) by the spectral function
setting the *RUNOPTION* *qdos* (see [Qdos tutorial](jumu/qdos)). The "qdos approach" is based on the scan of the k-space for a given energy (or different energy values if we are interested on band-structure calculations) by the spectral function
: $`\rho(E+i\eta,k) = \frac{\eta}{\pi}\frac{1}{(E-\epsilon\_k)\^2 + \eta\^2}`$.
So the density is written as a Lorentzian which
reaches its maximum $`\frac{1}{\eta\pi}`$ at $`E=\epsilon\_{\vec{k},\sigma}`$. All the maximums of this spectral
......@@ -18,7 +18,7 @@ particularly transport ones. However, the \'qdos method\' allows to have
a first glance on the Fermi surface, before launching more accurate
computations with the PKKprime code.
##### Fermi surface calculation
## Fermi surface calculation
The goal is to solve numerically the secular equation of KKR :
......@@ -39,7 +39,7 @@ $`\lambda\_\nu(\vec{k},E)=0`$.
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
The main feature of this method is that the Brillouin zone, will be
divided into cubes and into each cube the secular equation
......
......