# HF

Section can be repeated.

References: Guidon2008, Guidon2009

Sets up the Hartree-Fock parameters if requested [Edit on GitHub]

Subsections

- HF_INFO
- INTERACTION_POTENTIAL
- LOAD_BALANCE
- MEMORY
- PERIODIC
- RI
- SCREENING

## Keywords

- FRACTION

- PW_HFX

- PW_HFX_BLOCKSIZE

- TREAT_LSD_IN_CORE

## Keyword descriptions

FRACTION: real = 1.00000000E+000

  Usage: FRACTION 1.0

  The fraction of Hartree-Fock to add to the total energy. 1.0 implies standard Hartree-Fock if used with XC_FUNCTIONAL NONE. NOTE: In a mixed potential calculation this should be set to 1.0, otherwise all parts are multiplied with this factor. [Edit on GitHub]

PW_HFX: logical = F

  Lone keyword: `T`

  Usage: PW_HFX FALSE

  Compute the Hartree-Fock energy also in the plane wave basis. The value is ignored, and intended for debugging only. [Edit on GitHub]

PW_HFX_BLOCKSIZE: integer = 20

  Usage: PW_HFX_BLOCKSIZE 20

  Improve the performance of pw_hfx at the cost of some additional memory by storing the realspace representation of PW_HFX_BLOCKSIZE states. [Edit on GitHub]

TREAT_LSD_IN_CORE: logical = F

  Usage: TREAT_LSD_IN_CORE TRUE

  Determines how spin densities are taken into account. If true, the beta spin density is included via a second in core call. If false, alpha and beta spins are done in one shot [Edit on GitHub]