Hi
which version of the code are you using ?
with qe-6.6 using your parameters I got two positions
site n. atom positions (alat units)
1 Zn tau( 1) = ( 0.4873906 2.5406690 1.4472625 )
2 Zn tau( 2) = ( 0.3343454 0.8468897 0.4736359 )
With alat = 11.5468 a.u.
alat = 11.5468 a.u.
ibrav=-12
hope it helps
greetings - Pietro
Sent from Mail for Windows 10
From: Michal Husak
Sent: Thursday, November 12, 2020 10:34 AM
To: [email protected]
Subject: [QE-users] Incorrect identification+generations of atoms in
specialpositions (space_group options used).
I
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