[QE-users] HP with tetrahedra is not supported

Iurii TIMROV iurii.timrov at epfl.ch
Fri Jul 30 13:10:23 CEST 2021


Dear Roc,


> So, the QE 6.6 does not support the "occupations= 'tetrahedra_opt',", right?


Right.


Greetings,

Iurii


--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334
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From: users <users-bounces at lists.quantum-espresso.org> on behalf of 526587466 via users <users at lists.quantum-espresso.org>
Sent: Friday, July 30, 2021 12:30:55 PM
To: QEforum
Subject: [QE-users] HP with tetrahedra is not supported

Dear Sir,

When calculating the U value, it prints the error "HP with tetrahedra is not supported". So, the QE 6.6 does not support the "occupations= 'tetrahedra_opt',", right?

Thanks.

Best,

Roc

HTU

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