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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