Re: [Wien] How to get the orbital character of a band

2017-03-15 Thread Peter Blaha
Have a look at the "getting started" example in the usersguide, where for TiC the fat-bands plots are explained. Numerical details for each eigenvalue are listed in case.qtl. On 03/14/2017 04:10 PM, damir pinek wrote: Dear all, I'm using WIEN2K (Spaghetti and Xcrysden) to simulate the band

[Wien] How to get the orbital character of a band

2017-03-14 Thread damir pinek
Dear all, I'm using WIEN2K (Spaghetti and Xcrysden) to simulate the band structures/fermi surfaces of a family of HC nanolamellar carbides. So far, I have had a good qualitative matching between my experiments and the band structures calculated with WIEN2K. Now, I would like to have acce