[QE-users] hp.x with finite U

[Mpayami]

Hi.
The ambiguity is resolved.

MP



----- Original Message -----
From: Mpayami via users (users at lists.quantum-espresso.org)
Date: 24/12/1401 22:23
To: Quantum ESPRESSO users Forum (users at lists.quantum-espresso.org)
Subject: [QE-users] hp.x with finite U


Dear QE Developers

Hi.
Exploring the details of the hp.x code, I compared the results obtained from example01 and example05.
As is seen, the two results slightly differ.
Question: It happens that in some cases one has to use a finite U in the scf calculations before running hp.x. Should the value of finite U be as small as possible?
Thanks in advance.

Best regards,

Mahmoud Payami

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