[Wien] "Unalias: mv: not found" warning in STDOUT

The change in WIEN2k_17: "vec2old, vec2pratt: unalias mv in ssh commands" causes extra warnings when running lapw1para for users of sh/bash/zsh shells who do not have 'mv' aliased. Samples warnings are: "bash: line 0: unalias: mv: not found" for bash or "unalias: no such hash table element: mv"

[Wien] band gap issue

Dear List, I compiled the results of a complex structure with PBE+SO. Results look okay to me what about I am worried is: When I do grep :GAP *.scf on terminal then it shows band gap ~1.01 eV. When I see at the plots then it shows band gap ~0.7eV at Gamma point. Could you please tell me whats w

Re: [Wien] Questions about Na2IrO3 (PBE+SOC+U calculation with magnetic order)

Thanks a lot for the replies from both of you! And in this case the orbital moment is indeed not negligible when I checked :ORB (~0.4). Yours sincerely, Hung-Yu On Mon, Aug 7, 2017 at 4:27 AM, pieper wrote: > Of course! The local moments in an AF insulator can be anything. I just > saw that th

Re: [Wien] band gap issue

Maybe okay? "Next to :GAP in the scf file there is a warning: if you use a proper k-mesh. One always has to check this :GAP value and compare it vs. a detailed bandstructure plot, identifying the position of VBM and CBM. If the scf k-mesh is course or does not contain Gamma (shifted mesh), the