ri_rs_grid_optimization Module Reference

Optimize automatically initialized atom-centred RI-RS grids. More...

Functions/Subroutines
subroutine, public	optimize_ri_rs_grid (bs_env)
	Initialize Lebedev grids and subsequently optimize their grid-point coordinates.

Detailed Description

Optimize automatically initialized atom-centred RI-RS grids.

History

09.2026 created [Jan Wilhelm]

Function/Subroutine Documentation

optimize_ri_rs_grid()

subroutine, public ri_rs_grid_optimization::optimize_ri_rs_grid

(

type(post_scf_bandstructure_type), pointer

bs_env

)

Initialize Lebedev grids and subsequently optimize their grid-point coordinates.

Parameters

bs_env

...

Definition at line 57 of file ri_rs_grid_optimization.F.

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