qs_dos Module Reference

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

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

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
	)

Compute and write density of states.

Parameters

mos	...
dft_section	...

Date

26.02.2008

History:

Author

JGH

Version

1.0

Definition at line 56 of file qs_dos.F.

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calculate_dos_kp()

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

Compute and write density of states (kpoints)

Parameters

kpoints	...
qs_env	...
dft_section	...

Date

26.02.2008

History:

Author

JGH

Version

1.0

Definition at line 204 of file qs_dos.F.

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