Dear Hussain, Remember that the Fermi surface of a 3D bulk material is a 2D surface in 3D space (kx, ky, kz). Thus, the Fermi surface of a 2D system is an 1D line/curve on a 2D plane (kx, ky). The bxsf file format only works nicely for 3D systems. You can however trick a little bit. Instead of specifying a grid like, e.g., "32 32 1" you specify it by "32 32 2" and then you can use XCrysDen with the bxsf file format. It's also kind of a test if you modeled your system correctly - you should see no dispersion in the 3rd direction.
Regards Thomas Zitat von Hussain Ali <[email protected]>:
Dear QE users, I am new to QE. I have interest to plot the Fermi surface of 2D materials. I have tried to reproduce the bulk Fermi surfaces of some materials, e.g., Ni following the example of QE. Can someone guide me how to plot the Fermi surface of 2D material. I tried but the .bxsf file shows no Fermi surface. My 2D material is metal. Hussain MS student QAU, Islamabad Pakistan.
-- Dr. rer. nat. Thomas Brumme Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry Leipzig University Phillipp-Rosenthal-Strasse 31 04103 Leipzig Tel: +49 (0)341 97 36456 email: [email protected] _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
