[QE-users] Hp-code treating metals

Mpayami mpayami at aeoi.org.ir
Sat Dec 2 13:10:47 CET 2023


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
------------------------------------

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20231202/a9bc309b/attachment.html>


More information about the users mailing list