Re: [Wien] Reg: Limit of maximum number of K points to plot Fermi surfaces for different structures

2016-11-10 Thread Fecher, Gerhard
check your k-list check if the three integers defining the k-points and the multiplier are well separated in some cases one has problems with the formatted output in the k-list when using large number of k-points Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think

[Wien] Reg: Limit of maximum number of K points to plot Fermi surfaces for different structures

2016-11-10 Thread Peram sreenivasa reddy
Dear Wien2k and XCrySDen, I am working on FCC compounds (which have four atoms in a unit cell) with Wien2k code. To get Fermi surface i used 44x 44x 44 K-mesh, which will create 2168 k points in the Brillouin Zone. With this number of K points, i get smooth Fermi surfaces. After this, i created