[QE-users] hp.x with finite U
Mpayami
mpayami at aeoi.org.ir
Wed Mar 15 19:52:44 CET 2023
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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