Fix links authored by Philipp Rüssmann's avatar Philipp Rüssmann
for i in jumu kkrimp kkrnano kkrsusc media playground scattering; do find . -name \*.md -type f -exec sed -i "" "s/$i\:/$i\//" {} \; ;done
...@@ -4,7 +4,7 @@ Before doing the following steps be sure that the Fermi surface ...@@ -4,7 +4,7 @@ Before doing the following steps be sure that the Fermi surface
calculation ( [Fermi surface code : Perform calculation ( [Fermi surface code : Perform
calculations](fermi_surface:perform_calculations "wikilink")) is done calculations](fermi_surface:perform_calculations "wikilink")) is done
and that the host and impurity systems have converged ( [KKRimp : and that the host and impurity systems have converged ( [KKRimp :
Perform impurity calculations](kkrimp:perform "wikilink")). Even if Perform impurity calculations](kkrimp/perform "wikilink")). Even if
it\'s not necessary, but strongly recommended, you should use the it\'s not necessary, but strongly recommended, you should use the
folders naming defined in the two above sections. folders naming defined in the two above sections.
...@@ -13,21 +13,21 @@ folders naming defined in the two above sections. ...@@ -13,21 +13,21 @@ folders naming defined in the two above sections.
### Free propagator : \$G\_0(E)\$ {#free_propagator_g_0e} ### Free propagator : \$G\_0(E)\$ {#free_propagator_g_0e}
` - Create the folder **__g0__** in **__host_in_host__** : `*`mkdir`` ``-r`` ``host_in_host/g0`*\ ` - Create the folder **__g0__** in **__host_in_host__** : `*`mkdir`` ``-r`` ``host_in_host/g0`*\
` - Set the **__g0__** folder for a kkrflex calculation : `[`folder`` ``for`` ``kkrflex`](scattering:folder_kkrflex "wikilink")` for **type_calculation**=**g0**`\ ` - Set the **__g0__** folder for a kkrflex calculation : `[`folder`` ``for`` ``kkrflex`](scattering/folder_kkrflex "wikilink")` for **type_calculation**=**g0**`\
` - Set the inputcard for a kkrflex calculation in the folder **__g0__** : `[`inputcard`` ``for`` ``kkrflex`](fermi_surface:inputcard_kkrflex "wikilink")` for **type_calculation**=**g0**`\ ` - Set the inputcard for a kkrflex calculation in the folder **__g0__** : `[`inputcard`` ``for`` ``kkrflex`](fermi_surface:inputcard_kkrflex "wikilink")` for **type_calculation**=**g0**`\
` - Run one iteration : `*`mpirun`` ``-np`` ``1`` ``kkrscatter.exe`*` ((This executable is not yet parallelized))` ` - Run one iteration : `*`mpirun`` ``-np`` ``1`` ``kkrscatter.exe`*` ((This executable is not yet parallelized))`
### \$\\mathcal{T}(E)\$ matrix for the given impurity {#mathcalte_matrix_for_the_given_impurity} ### \$\\mathcal{T}(E)\$ matrix for the given impurity {#mathcalte_matrix_for_the_given_impurity}
` - Create the folder **__tmat__** in **__imp__** : `*`mkdir`` ``-r`` ``imp/tmat`*\ ` - Create the folder **__tmat__** in **__imp__** : `*`mkdir`` ``-r`` ``imp/tmat`*\
` - Set the **__tmat__** folder for a kkrflex calculation : `[`folder`` ``for`` ``kkrflex`](scattering:folder_kkrflex "wikilink")` for **type_calculation**=**tmat**`\ ` - Set the **__tmat__** folder for a kkrflex calculation : `[`folder`` ``for`` ``kkrflex`](scattering/folder_kkrflex "wikilink")` for **type_calculation**=**tmat**`\
` - Set the inputcard for a kkrflex calculation in the folder **__tmat__** : `[`inputcard`` ``for`` ``kkrflex`](fermi_surface:inputcard_kkrflex "wikilink")` for **type_calculation**=**tmat**`\ ` - Set the inputcard for a kkrflex calculation in the folder **__tmat__** : `[`inputcard`` ``for`` ``kkrflex`](fermi_surface:inputcard_kkrflex "wikilink")` for **type_calculation**=**tmat**`\
` - Run one iteration : `*`mpirun`` ``-np`` ``1`` ``kkrscatter.exe`*` ((This executable is not yet parallelized))` ` - Run one iteration : `*`mpirun`` ``-np`` ``1`` ``kkrscatter.exe`*` ((This executable is not yet parallelized))`
### Full Green\'s function : \$G\_{imp}(E)\$ {#full_greens_function_g_impe} ### Full Green\'s function : \$G\_{imp}(E)\$ {#full_greens_function_g_impe}
` - Create the folder **__gimp__** in **__imp__** : `*`mkdir`` ``-r`` ``imp/gimp`*\ ` - Create the folder **__gimp__** in **__imp__** : `*`mkdir`` ``-r`` ``imp/gimp`*\
` - Set the **__gimp__** folder for a kkrflex calculation : `[`folder`` ``for`` ``kkrflex`](scattering:folder_kkrflex "wikilink")` for **type_calculation**=**gimp**`\ ` - Set the **__gimp__** folder for a kkrflex calculation : `[`folder`` ``for`` ``kkrflex`](scattering/folder_kkrflex "wikilink")` for **type_calculation**=**gimp**`\
` - Set the inputcard for a kkrflex calculation in the folder **__gimp__** : `[`inputcard`` ``for`` ``kkrflex`](fermi_surface:inputcard_kkrflex "wikilink")` for **type_calculation**=**gimp**`\ ` - Set the inputcard for a kkrflex calculation in the folder **__gimp__** : `[`inputcard`` ``for`` ``kkrflex`](fermi_surface:inputcard_kkrflex "wikilink")` for **type_calculation**=**gimp**`\
` - Run one iteration : `*`mpirun`` ``-np`` ``1`` ``kkrscatter.exe`*` ((This executable is not yet parallelized))` ` - Run one iteration : `*`mpirun`` ``-np`` ``1`` ``kkrscatter.exe`*` ((This executable is not yet parallelized))`
...@@ -36,20 +36,20 @@ folders naming defined in the two above sections. ...@@ -36,20 +36,20 @@ folders naming defined in the two above sections.
### Compute the transition rate {#compute_the_transition_rate} ### Compute the transition rate {#compute_the_transition_rate}
` - Create the folder **__scattering__** in **__imp__** : `*`mkdir`` ``-r`` ``imp/scattering`*\ ` - Create the folder **__scattering__** in **__imp__** : `*`mkdir`` ``-r`` ``imp/scattering`*\
` - Set the **__scattering__** folder for Pkkr calculations : `[`folder`` ``for`` ``scattering`](scattering:folder_pkkr "wikilink")` for **type_calculation=scattering**`\ ` - Set the **__scattering__** folder for Pkkr calculations : `[`folder`` ``for`` ``scattering`](scattering/folder_pkkr "wikilink")` for **type_calculation=scattering**`\
` - Set the inputFS file for a Pkkr calculation in the folder **__scattering__** : `[`inputFS`` ``for`` ``scattering`](scattering:inputFS_pkkr "wikilink")` for **type_calculation=scattering**`\ ` - Set the inputFS file for a Pkkr calculation in the folder **__scattering__** : `[`inputFS`` ``for`` ``scattering`](scattering/inputFS_pkkr "wikilink")` for **type_calculation=scattering**`\
` - Run one iteration : `*`./Pkkr.x`*` ` ` - Run one iteration : `*`./Pkkr.x`*` `
### Compute the life time and conductivity {#compute_the_life_time_and_conductivity} ### Compute the life time and conductivity {#compute_the_life_time_and_conductivity}
` - Here the calculations are done in the same folder **__scattering__** since this step requires output files from the previous one.`\ ` - Here the calculations are done in the same folder **__scattering__** since this step requires output files from the previous one.`\
` - Set the **__scattering__** folder for Pkkr calculations : `[`folder`` ``for`` ``scattering`](scattering:folder_pkkr "wikilink")` for **type_calculation=lifeT_cond**`\ ` - Set the **__scattering__** folder for Pkkr calculations : `[`folder`` ``for`` ``scattering`](scattering/folder_pkkr "wikilink")` for **type_calculation=lifeT_cond**`\
` - Set the inputFS file for a Pkkr calculation in the folder **__scattering__** : `[`inputFS`` ``for`` ``scattering`](scattering:inputFS_pkkr "wikilink")` for **type_calculation=lifeT_cond**`\ ` - Set the inputFS file for a Pkkr calculation in the folder **__scattering__** : `[`inputFS`` ``for`` ``scattering`](scattering/inputFS_pkkr "wikilink")` for **type_calculation=lifeT_cond**`\
` - Run one iteration : `*`./Pkkr.x`*` ` ` - Run one iteration : `*`./Pkkr.x`*` `
### Compute the JDOS, \$\\gamma\$-JDOS and exJDOS {#compute_the_jdos_gamma_jdos_and_exjdos} ### Compute the JDOS, \$\\gamma\$-JDOS and exJDOS {#compute_the_jdos_gamma_jdos_and_exjdos}
` - Create the folder **__jdos__** in **__imp__** : `*`mkdir`` ``-r`` ``imp/jdos`*\ ` - Create the folder **__jdos__** in **__imp__** : `*`mkdir`` ``-r`` ``imp/jdos`*\
` - Set the **__jdos__** folder for Pkkr calculations : `[`folder`` ``for`` ``scattering`](scattering:folder_pkkr "wikilink")` for **type_calculation=jdos**`\ ` - Set the **__jdos__** folder for Pkkr calculations : `[`folder`` ``for`` ``scattering`](scattering/folder_pkkr "wikilink")` for **type_calculation=jdos**`\
` - Set the inputFS file for a Pkkr calculation in the folder **__jdos__** : `[`inputFS`` ``for`` ``scattering`](scattering:inputFS_pkkr "wikilink")` for **type_calculation=jdos**`\ ` - Set the inputFS file for a Pkkr calculation in the folder **__jdos__** : `[`inputFS`` ``for`` ``scattering`](scattering/inputFS_pkkr "wikilink")` for **type_calculation=jdos**`\
` - Run one iteration : `*`./Pkkr.x`*` ` ` - Run one iteration : `*`./Pkkr.x`*` `