Re: [Wien] Plotting the radial part of wave function

2023-08-16 Thread Peter Blaha
Please search the mailing list. There were some previous post about the format of these files. You certainly cannot plot them in xmgrace, as it does not contain x-y data. Am 15.08.2023 um 00:02 schrieb reyhaneh ebrahimi: Dear WIEN2k users I'm a WIEN2k user, version 23.2. I would like to plot

[Wien] SOC value \zeta

2023-08-16 Thread Samolyuk, German D. via Wien
Dear colleagues, I'm running wien2k version WIEN2K_19_LI on linux cluster. The goal is to analyze magnetic anisotropy energy in YCo_5 intermetallic. As it was explained in few presentation discussing SOC implementation in wien2K it's added in following form \zeta ({\vec \sigma}{\vec l}),

Re: [Wien] SOC value \zeta

2023-08-16 Thread Gavin Abo
Should it helpful to you, below is something I came across when searching in some of my old notes on WIEN2k. *5/7/2016 WIEN2k Notes* WIEN2k articles on the 'artificial' adjustment of the spin orbit coupling strength, xi, using the speed of light, c (i.e., xi ∝ c^-2): C. Zeng, et al.,