Hi QE users,

I'm using QE 6.7MaX. I plotted the Fermi surface on a 18^3 and a 24^3 mesh for 
the scf and nscf calculations, respectively. However, when I plotted the Fermi 
surface, the resolution looks poor (jagged edges at some parts). This is in 
comparison to the Fermi surface plotted with Wannier90 with 
fermi_surface_num_points = 100 that is of a higher resolution.

May I clarify that the resolution of the Fermi surface depends on the mesh 
density of the scf and nscf steps? If yes, is the mesh setting at the nscf step 
equivalent to fermi_surface_num_points? I'm wondering about this as if I set 
100^3 for the nscf step, it states that there are too many k points. I modified 
the npk variable, but before attempting such a calculation, I wanted to clarify 
these.

Thanks.

Regards,
Truman
National University of Singapore
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users

Reply via email to