qs_dos Module Reference

Calculation and writing of density of states. More...

Functions/Subroutines
subroutine, public	calculate_dos (mos, dft_section, unoccupied_evals, smearing_enabled)
	Compute and write density of states.
subroutine, public	calculate_dos_kp (qs_env, dft_section)
	Compute and write density of states (kpoints)

Detailed Description

Calculation and writing of density of states.

History

Author

JGH

Function/Subroutine Documentation

calculate_dos()

subroutine, public qs_dos::calculate_dos	(	type(mo_set_type), dimension(:), pointer	mos,
		type(section_vals_type), pointer	dft_section,
		type(cp_1d_r_p_type), dimension(:), optional, pointer	unoccupied_evals,
		logical, intent(in), optional	smearing_enabled
	)

Compute and write density of states.

Parameters

mos	...
dft_section	...
unoccupied_evals	...
smearing_enabled	...

Date

26.02.2008

History:

Author

JGH

Version

1.0

Definition at line 65 of file qs_dos.F.

Here is the call graph for this function:

Here is the caller graph for this function:

calculate_dos_kp()

subroutine, public qs_dos::calculate_dos_kp	(	type(qs_environment_type), pointer	qs_env,
		type(section_vals_type), pointer	dft_section
	)

Compute and write density of states (kpoints)

Parameters

qs_env	...
dft_section	...

Date

26.02.2008

History:

Author

JGH

Version

1.0

Definition at line 324 of file qs_dos.F.

Here is the call graph for this function:

Here is the caller graph for this function: