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*From: *Michal Husak <mailto:michal.hu...@vscht.cz>
*Sent: *Thursday, November 12, 2020 10:34 AM
*To: *users@lists.quantum-espresso.org
<mailto:users@lists.quantum-espresso.org>
*Subject: *[QE-users] Incorrect identification+generations of
atoms in specialpositi
.u.
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> ibrav=-12
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> hope it helps
>
> greetings - Pietro
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> Sent from Mail <https://go.microsoft.com/fwlink/?LinkId=550986> for
> Windows 10
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> *From: *Michal Husak
> *Sent: *Thursday, No
Dear C. Conesa
I was afraid I am faced exactly with the same
problem you mentioned in your contribution ...
But had identified 2 problems on my side instead :
1) I forget to use uniqueb = .true. => incorrect
identification of special positions
2) after correcting mistake 1) I had used
*To: *users@lists.quantum-espresso.org
<mailto:users@lists.quantum-espresso.org>
*Subject: *[QE-users] Incorrect identification+generations of atoms in
specialpositions (space_group options used).
I
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Subject: [QE-users] Incorrect identification+generations of atoms in
specialpositions (space_group options used).
I
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users mailing list users@lists.quantum-
+generations of atoms in
specialpositions (space_group options used).
I
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users mailing list users@lists.quantum-espresso.org
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