[Wien] more than 999 inequivalent atoms in case.struct
Tomas Kana
kana at seznam.cz
Mon Sep 18 14:57:29 CEST 2023
Dear wien2k users,
Is it possible to specify more than 999 inequivalent atoms in
the case.struct file?
Is it possible in the older version 21.1 I am currently using?
I have got such files from phonopy, and I try to check them
using x sgroup, but x sgroup understands there are just 112 atoms
and not 1128. If I erase one space in the case.struct file
x sgroup thinks I have 128 atoms.
Thank you very much
Tomas Kana
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