Hi, if you are dealing with a surface, your system has a two-dimensional–like band structure as a function of the in-plane momenta E(kx,ky).
In this case you can: 1) perform a band-structure calculation as you did and plot the bands using dots whose color and or size are proportional to the x, y, or z component of the spin; 2) compute the dispersion on a uniform grid sampling the entire Brillouin zone, plot the energy as a three-dimensional surface as a function of the two in-plane momentum components, and then, at each point in this three-dimensional space (kx,ky,E) draw a vector whose direction is given by the three spin components and whose magnitude is proportional to the (Sx,Sy,Sz) magnitude. This plot is for a single band, and in this way you can visualize the full three-dimensional spin field; 3) compute the dispersion on a uniform grid over the whole Brillouin zone and plot only the spin texture in two dimensions: at each point in momentum space draw a vector whose direction is given by the in-plane spin components (Sx,Sy) and whose length is proportional to the (Sx,Sy) magnitude, while the arrow color represents the out-of-plane Sz spin component. On this type of plot you can superimpose constant-energy contours (for an example, see Fig. 2 of Phys. Rev. B 110, 165411 (2024), although many similar examples can be found in the literature). As for the codes that can produce this kind of plot, there are certainly some packages where these features are already implemented. Personally, I usually write this kind of post-processing tools myself, typically in Python. Giovanni -- Prof. Giovanni Cantele Dipartimento di Fisica "Ettore Pancini" Universita' degli Studi di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: [email protected] Phone: +39 081 676910 Web page: https://sites.google.com/view/giovanni-cantele/home Il giorno mar 13 gen 2026 alle ore 05:16 박기명 <[email protected]> ha scritto: > Dear users, > > I’d like to hear about your experiences and advice. > > I obtained the 2D surface data on the [111] plane using > calculations='bands' and the crystal_c option. I also used bands.x to > obtain <Sx>, <Sy>, and <Sz>. However, I faced a problem because data on the > [111] plane effectively has four components (x, y, z + <Sx> or <Sy> or > <Sz>), which makes it difficult to plot the spin texture. > > Could you recommend a good approach to handle this, or any related > programs/tools? > > Best regards, > GiMyung Park > Yonsei University > > _______________________________________________________________________________ > The Quantum ESPRESSO Foundation stands in solidarity with all civilians > worldwide who are victims of terrorism, military aggression, and > indiscriminate warfare. > > -------------------------------------------------------------------------------- > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users >
_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
