diff --git a/images/tutorials/spin-magnetic/ni-spin-resolved-bandstructure.webp b/images/tutorials/spin-magnetic/ni-spin-resolved-bandstructure.webp new file mode 100644 index 000000000..2ea28a256 --- /dev/null +++ b/images/tutorials/spin-magnetic/ni-spin-resolved-bandstructure.webp @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3fdf8aba97cafcb913cc4cca30cf6a08f71aff9fcf9a5f2d03438ae86fb6ca86 +size 88966 diff --git a/lang/en/docs/tutorials/dft/electronic/spin-magnetic-qe.md b/lang/en/docs/tutorials/dft/electronic/spin-magnetic-qe.md index f48d3dcb8..725614eb3 100644 --- a/lang/en/docs/tutorials/dft/electronic/spin-magnetic-qe.md +++ b/lang/en/docs/tutorials/dft/electronic/spin-magnetic-qe.md @@ -50,14 +50,15 @@ k-path. We can set the desired k-path via the **Important Settings** tab. ![bands.x settings](/images/tutorials/spin-magnetic/spin-bands-x.webp "bands.x settings") -In the final step, we add `bands.x` calculation. We are interested in -processing one type of spin (i.e., up or down) state. We can do that by -specifying `spin_component = 1` for **up** spin, or `spin_component = 2` for -**down** spin. So we add two units, one to process only **up** and another to -process **down** spin only. We update the `filbands` filenames so that the -outputs are written to different files for up/down spins. It is recommended to -give each unit a distinct name, otherwise, some of the generated files might be -overwritten. +In the final step, we add `bands.x` calculation. This step is optional, and +used for further postprocessing of already calculated bandstructure data in the +above steps. We are interested in processing one type of spin (i.e., up or down) +state. We can do that by specifying `spin_component = 1` for **up** spin, or +`spin_component = 2` for **down** spin. So we add two units, one to process only +**up** and another to process **down** spin only. We update the `filbands` +filenames so that the outputs are written to different files for up/down spins. +It is recommended to give each unit a distinct name, otherwise, some of the +generated files might be overwritten. ## 3. Job designer @@ -90,6 +91,13 @@ Once the job is completed, the bandstructure plots are shown in the **Results** tab. All input and output files can be found in the **Files** tab and can be used for further analysis. +**Updated in platform version 2024.8.22:** Both spin components (if present) are +now shown in the same plot with different colors. Following plot shows the spin +resolved bandstructure of nickel, where blue and orange colors represent up and +down spin components, respectively. + +![Spin resolved bandstructure of Ni](/images/tutorials/spin-magnetic/ni-spin-resolved-bandstructure.webp "Spin resolved bandstructure of Ni") + ## Step-by-step screenshare video