Re: [Wien] Fermi surface for a GGA+U+SO calculation using Xcrysden

2018-10-23 Thread Peter Blaha
No, if you concatenate the outputso files (and not the output1up or dn files), you should have all bands and be able to plot all fermi surfaces. Am 23.10.2018 um 10:18 schrieb Wing Chi YU: Dear all, I have some doubts about plotting the Fermi surface of a GGA+U+SO calculation in Xcrysden. Aft

[Wien] Fermi surface for a GGA+U+SO calculation using Xcrysden

2018-10-23 Thread Wing Chi YU
Dear all, I have some doubts about plotting the Fermi surface of a GGA+U+SO calculation in Xcrysden. After a self-consistence run with runsp_lapw -p -orb -so, I followed the steps in [1] to calculate the inputs for rendering the Fermi surface, x lapw1 -up -p x lapw1 -dn -p x lapwso -orb -up -p x l