Re: [Wien] How to calculate AHC in wien2k?

I see. Thanks for sharing. Many people complain about difficulties with MLWF, but the wannier90 community also tries to address issues to make wannierization easier. Maybe those lectures/tutorials will help (see https://indico.ictp.it/event/9789/other-view?view=ictptimetable ) "Selected columns

Re: [Wien] How to calculate AHC in wien2k?

Hi, Thanks for your reply. I am facing some problems in building an effective model using the MLWF function as my band structure is not that clean and it has several band crossings near Fermi level. That is why I am avoiding this path and am thinking of calculating in a different way. I can get

Re: [Wien] How to calculate AHC in wien2k?

Dear Samir, It is not possible to get AHC in WIEN2k without wannier90, as far as I know. My understanding is that one needs to get the Berry curvature Omega(k) (we only have the Berry phase). Also, we need a very fine k mesh (something like 200x200x200 for iron) to resolve fast-changing

[Wien] How to calculate AHC in wien2k?

Dear Wien2k users, Is it possible to compute Anomalous Hall Conductivity (AHC) value in Wien2k self-consistently without first building an effective model using the maximally localised generalised Wannier function (MLWF)? Best regards, SAMIR ROM Senior Research Fellow (SRF) Department of