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
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