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 <[email protected]> on behalf of MARIA CATERINA CEVALLOS BRENES <[email protected]> Sent: Wednesday, September 11, 2019 3:47:40 PM To: [email protected] 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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