| ... | ... | @@ -5,8 +5,8 @@ the scalar-relativistic Hamiltonian and add SOC in the Pauli-form \$ | 
|  |  | \\mathcal{H}\_\\mathrm{SO} = \\xi \\, L \\cdot S\$. This is done by the | 
|  |  | new solver. \_\_Note that the new solver works only for spin-polarized | 
|  |  | full potential calculations.\_\_ The features of the old solver like for | 
|  |  | example [DOS](jumu:density_of_states "wikilink"), | 
|  |  | [QDOS](jumu:qdos "wikilink"), or [decimation](jumu:deci "wikilink") work | 
|  |  | example [DOS](jumu/density_of_states "wikilink"), | 
|  |  | [QDOS](jumu/qdos "wikilink"), or [decimation](jumu/deci "wikilink") work | 
|  |  | as usual. The following steps are needed: | 
|  |  |  | 
|  |  | ##### Changes in the inputcard {#changes_in_the_inputcard} | 
| ... | ... | @@ -51,7 +51,7 @@ option //NOSOC// has to be added. | 
|  |  |  | 
|  |  | Since the new solver does also deal with non-collinear calculations we | 
|  |  | have to specify the non-collinear angles of each atom in the inputcard | 
|  |  | in the file [nonco\_angle.dat](jumu:nonco_angle.dat_file "wikilink"). If | 
|  |  | in the file [nonco\_angle.dat](jumu/nonco_angle.dat_file "wikilink"). If | 
|  |  | this file is not given then the angles are fixed to theta=phi=0 (i.e. | 
|  |  | the z-direction). | 
|  |  |  | 
| ... | ... | @@ -63,16 +63,16 @@ As an example the difference between bulk Au with and without SOC should | 
|  |  | be calculated. The test system consists of bulk Au (fcc lattice) with a | 
|  |  | LMAX cutoff set to 2 and a k-mesh of 15x15x15, for the sake of speed of | 
|  |  | the calculation. | 
|  |  | `{{:jumu:examples:au_bulk_nosoc_cos.tar.gz|Here}}`{=mediawiki} the input | 
|  |  | `{{:jumu/examples:au_bulk_nosoc_cos.tar.gz|Here}}`{=mediawiki} the input | 
|  |  | files of both cases with the different inputcards can be found. Using | 
|  |  | the [QDOS](jumu:qdos "wikilink") the change in the band structure can be | 
|  |  | the [QDOS](jumu/qdos "wikilink") the change in the band structure can be | 
|  |  | investigated. | 
|  |  |  | 
|  |  | #### Example 2: bulk Au with and without SOC {#example_2_bulk_au_with_and_without_soc} | 
|  |  |  | 
|  |  | The second example is the SOC-induced splitting of Au(111) surface | 
|  |  | states using a half-infinite Au(111) crystal (using the | 
|  |  | [decimation-technique](jumu:deci "wikilink")) and the | 
|  |  | [QDOS](jumu:qdos "wikilink") option. \<WRAP center round todo 60%\> Add | 
|  |  | [decimation-technique](jumu/deci "wikilink")) and the | 
|  |  | [QDOS](jumu/qdos "wikilink") option. \<WRAP center round todo 60%\> Add | 
|  |  | example files with instructions, also to [examples | 
|  |  | page](jumu:examples_and_tips "wikilink"). </WRAP> | 
|  |  | page](jumu/examples_and_tips "wikilink"). </WRAP> |