HFX_KERNEL

The hfx kernel to use. Cannot be combined with HF section. [Edit on GitHub]

Subsections

• HF
• HFXLR

Keywords

• DO_HFXSR

• HFXSR_PRIMBAS

Keyword descriptions

DO_HFXSR: logical = F

Lone keyword: T

Usage: DO_HFXSR T/F

Switch to use the HFXSR (short range) kernel. [Edit on GitHub]

HFXSR_PRIMBAS: integer = 0

Usage: HFXSR_PRIMBAS 3

Default number of primitives in ADMM basis in HFXSR. 0 indicates the use of a contracted minimal basis. [Edit on GitHub]