[QE-users] Incorrect identification+generations of atoms inspecialpositions (space_group options used).

[Pietro Delugas]

It tells me atom 7 and 150 overlap, 7 should be 
O -0.503 0.4513 0.3517
As for 150 I don’t know, not very easy to spot in a short time. 
Pietro 


Sent from Mail for Windows 10

From: Michal Husak
Sent: Thursday, November 12, 2020 12:19 PM
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Incorrect identification+generations of atoms inspecialpositions (space_group options used).

H

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