` - 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**`\
` - 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}
` - 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**`\
` - 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}
` - 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**`\
` - 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.
### Compute the transition rate {#compute_the_transition_rate}
` - 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 inputFS file for a Pkkr calculation in the folder **__scattering__** : `[`inputFS`` ``for`` ``scattering`](scattering:inputFS_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**`\
` - Run one iteration : `*`./Pkkr.x`*` `
### 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.`\
` - 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 **__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**`\
` - Run one iteration : `*`./Pkkr.x`*` `
### Compute the JDOS, \$\\gamma\$-JDOS and exJDOS {#compute_the_jdos_gamma_jdos_and_exjdos}
` - 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 inputFS file for a Pkkr calculation in the folder **__jdos__** : `[`inputFS`` ``for`` ``scattering`](scattering:inputFS_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**`\