Skip to content
Merged
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
8 changes: 5 additions & 3 deletions docs/advanced/input_files/input-main.md
Original file line number Diff line number Diff line change
Expand Up @@ -2446,10 +2446,11 @@ These variables are relevant when using hybrid functionals.
### exx_ccp_rmesh_times

- **Type**: Real
- **Description**: This parameter determines how many times larger the radial mesh required for calculating Columb potential is to that of atomic orbitals. For HSE, setting it to 1 is enough. But for PBE0, a much larger number must be used.
- **Description**: This parameter determines how many times larger the radial mesh required for calculating Columb potential is to that of atomic orbitals. The value should be at least 1. Reducing this value can effectively increase the speed of self-consistent calculations using hybrid functionals.
- **Default**:
- 1.5: if *[dft_functional](#dft_functional)==hse*
- 5: else
- 5: if *[dft_functional](#dft_functional)==hf/pbe0/scan0/muller/power/wp22*
- 1.5: if *[dft_functional](#dft_functional)==hse/cwp22*
- 1: else

### exx_distribute_type

Expand Down Expand Up @@ -2488,6 +2489,7 @@ These variables are relevant when using hybrid functionals.
- **Description**:
- True: Enforce LibRI to use `double` data type.
- False: Enforce LibRI to use `complex` data type.
Setting it to True can effectively improve the speed of self-consistent calculations with hybrid functionals.
- **Default**: depends on the [gamma_only](#gamma_only) option
- True: if gamma_only
- False: else
Expand Down
Loading