[QE-users] Hubbard paramaters calculation with HP module

[Timrov Iurii]

Dear Caterina,


The list of possible options for localized orbitals is controlled by the parameter "U_projection_type":

https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm467


The HP code/module currently supports only options "atomic" (i.e. atomic orbitals which are read from pseudopotentials) and "ortho-atomic" (i.e. Lowdin orthonormalization of atomic orbitals which are read from pseudopotentials).


Best regards,

Iurii


--
Dr. Iurii Timrov
Postdoctoral Researcher
STI - IMX - THEOS and NCCR - MARVEL
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of MARIA CATERINA CEVALLOS BRENES <MARIA.CEVALLOS at ucr.ac.cr>
Sent: Wednesday, September 11, 2019 3:47:40 PM
To: users at lists.quantum-espresso.org
Subject: [QE-users] Hubbard paramaters calculation with HP module


Dear QE community:

I just have one question regarding DFPT. What are the localized orbitals onto which KS-wavefunctions are projected? Are them Wannier functions?

Kind regards,

Caterina.


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