I could be wrong, but as far as I know, there is currently no output
file or program in WIEN2k to recover the vacuum thickness created by "x
supercell" or the structeditor.
So, to get the vacuum thickness, you would have to look at the lattice
parameters and atomic positions in case.struct,
Dear Developers and Users,
I need your help on this. It is known that, one can use x supercell or
structeditor to create a surface or a cluster etc.
Please, which file to look for information on the vacuum thickness of the
case.struct?
Thanks a lot for your time.
Best regards
Lawal
Using:
64 bit Ubuntu 16.04.4 LTS
WIEN2k 17.1 (with the siteconfig, libxc, and gfortran patches [
https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1 ])
username@computername:~$ gfortran --version
GNU Fortran (Ubuntu 5.4.0-6ubuntu1~16.04.9) 5.4.0 20160609
In SRC_lapw1/inilpw.f, I added a
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