Re: [Wien] Magnetocrystalline anisotropy

2018-01-30 Thread Peter Blaha
Dear wien2k users, There is a possible (usually rather small) problem in all calculations with orbital potentials (-orb -eece) in cases without inversion symmetry and a k-mesh, which "adds" inversion symmetry. (There should be no problems with self-consistent spin-orbit calculations (-so),

Re: [Wien] Band structure calculations using WIENncm code

2018-01-30 Thread Marcelo Barbosa
Hi I’m sorry, I misread the email and didn’t notice that you were asking for band structure calculations using WIENncm and not WIEN2k, my bad… I’ve never used it, therefore only one of the experts can help you with that. Cheers, Marcelo > On 30 Jan 2018, at 21:29, Majid Yazdani

Re: [Wien] Band structure calculations using WIENncm code

2018-01-30 Thread Majid Yazdani
Dear Marcelo Thank you so much for your reply. I downloaded and watched the video you sent via link. This video explains the band structure calculations using WIEN2k code, not WIENncm. Are the band structure calculations in WIENncm the same as WIEN2k?