[QE-users] example18 of PHonon

[Mpayami]

Dear QE Developers,
Please remove my previous post.
QE-71-DEV is ok with DFT+U+J0.

----- Original Message -----
From: Mpayami via users (users at lists.quantum-espresso.org)
Date: 20/12/1401 19:50
To: Quantum ESPRESSO users Forum (users at lists.quantum-espresso.org)
Subject: [QE-users] example18 of PHonon


Dear QE Developers,

Hi.
Kindly, I am using QE-7.1 development version which is downloaded one week ago.
I was inspecting example18 of PHonon, but slightly modified and added the J0 parameter in HUBBARD card.
It seemed the PHono code is not synchronous with pw.x and the run stopped with the following error message:
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         3
     from card_hubbard : error #         2
     Not allowed to specify two Hubbard channels that are the same for the same atom
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Any comments is highly appreciated.

Best regards,
Mahmoud Payami
NSTRI, AEOI
Tehran, Iran
Email: mpayami at aeoi.org.ir
Phone: +98(0)2182066504
------------------------------------

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