[QE-users] Hp-code treating metals

[Mpayami]

It seems I was not so accurate.
The problem is solved!

M.



----- Original Message -----
From: Mpayami via users (users at lists.quantum-espresso.org)
Date: 11/09/1402 15:42
To: Quantum ESPRESSO users Forum (users at lists.quantum-espresso.org)
Subject: [QE-users] Hp-code treating metals


Dear Experts, Especially HP-code Developers,

Hi.
Kindly, running the examples provided in HP folder, especially example04 I am convinced that one can use HP-code to determine
self-consistently the Hubbard parameters even for some metals (Here, Ni ferromagnetic bulk). However, when I use Hp-code for another metal example, the components of response function assume extremely large values and the self-consistent cycle fails.
This large values may originate from the improper initial values for running HP-code. I have played with all parameters mentioned in HP-INPUT file but did not manage it.
I would highly appreciate any comments in this respect.

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