[Wien] Using fold2Bloch for the path perpendicular to G-K

[Gavin Abo]

Regarding *.klist file, the *.klist_band [1] format should be in 
SRC_lapw1/inilpw.f as I recall [2,3].

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14331.html
[2] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08050.html
[3] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10637.html

On 9/24/2019 6:47 PM, Oleg Rubel wrote:
> Dear Artem,
>
> It is very true that determining a k-path in a generic case is not 
> that straightforward. Here is a utility that does the job
> https://github.com/rubel75/fold2Bloch-VASP/blob/master/utils/fold.m
> Its output contains fractional coordinates of k-points. There will be 
> a bit of work to transform it to the wien2k *.klist format with a 
> divisor. When doing this, please keep in mind a fixed format for the 
> *.klist file. Can anyone remind the exact FORTRAN format string?
>
> Best regards
> Oleg