Re: [Wien] Problems with hf and so

The "error in read_weight: wrong case.weighthfnoso" might be due to a bug in SRC_hf/read_weight.f of WIEN2k 18.2. I think it might be line 126 that needs commented out !    nk = nkibzall followed by recompiling the hf module with siteconfig. It seems like the code was designed such that

[Wien] Problems with hf and so

Dear wien2k community, In the new version of WIEN2k the hybrid functionals are compatible with spin-orbit. However, using such combination I can not continue calculations after I change the k-mesh. As a minimal non-working example, to compute the GaAs (the .struct is fine, the band structure

Re: [Wien] STM

Dear Gavin,Thank you very much for the detail explanation. I will follow the suggestions.With kind regards Lawal On Saturday, January 5, 2019, 11:47:52 PM GMT+8, Gavin Abo wrote: Not an expert on the STM, so I could be wrong about some things, but my comments below.