isdf_utils_oct_m Module Reference

Functions/Subroutines
subroutine, public	output_matrix (namespace, fname, matrix)
	Helper routine to output a 2D matrix. More...
integer function, public	highest_occupied_index (st, ik_index)
	Return the index of highest occupied Kohn-Sham state for k-point ik. More...

Function/Subroutine Documentation

output_matrix()

subroutine, public isdf_utils_oct_m::output_matrix	(	type(namespace_t), intent(in)	namespace,
		character(len=*), intent(in)	fname,
		real(real64), dimension(:, :), intent(in), contiguous	matrix
	)

Helper routine to output a 2D matrix.

Definition at line 133 of file isdf_utils.F90.

highest_occupied_index()

integer function, public isdf_utils_oct_m::highest_occupied_index	(	type(states_elec_t), intent(in)	st,
		integer, intent(in)	ik_index
	)

Return the index of highest occupied Kohn-Sham state for k-point ik.

This is only valid for smear == SMEAR_SEMICONDUCTOR. This routines also assumes a contiguous distribution of occupied states. It will not, for example return the correct index for the input: ``` Occupations 0 | 1 %

Parameters

[in]

ik_index

k-point index

Returns

Index of highest occupied KS state

Definition at line 170 of file isdf_utils.F90.