cryssym Module Reference

K-points and crystal symmetry routines. More...

Functions/Subroutines
subroutine, public	release_csym_type (csym)
	Release the CSYM type. More...
subroutine, public	crys_sym_gen (csym, scoor, types, hmat, delta, iounit)
	... More...
subroutine, public	kpoint_gen (csym, nk, symm, shift, full_grid)
	... More...
subroutine, public	apply_rotation_coord (f0, csym, ir)
	... More...
subroutine, public	print_crys_symmetry (csym)
	... More...
subroutine, public	print_kp_symmetry (csym)
	... More...

Detailed Description

K-points and crystal symmetry routines.

Author

jgh

Function/Subroutine Documentation

release_csym_type()

subroutine, public cryssym::release_csym_type

(

type(csym_type)

csym

)

Release the CSYM type.

Parameters

csym	The CSYM type

Definition at line 71 of file cryssym.F.

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crys_sym_gen()

subroutine, public cryssym::crys_sym_gen	(	type(csym_type)	csym,
		real(kind=dp), dimension(:, :), intent(in)	scoor,
		integer, dimension(:), intent(in)	types,
		real(kind=dp), dimension(3, 3), intent(in)	hmat,
		real(kind=dp), intent(in), optional	delta,
		integer, intent(in), optional	iounit
	)

...

Parameters

csym	...
scoor	...
types	...
hmat	...
delta	...
iounit	...

Definition at line 113 of file cryssym.F.

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kpoint_gen()

subroutine, public cryssym::kpoint_gen	(	type(csym_type)	csym,
		integer, dimension(3), intent(in)	nk,
		logical, intent(in), optional	symm,
		real(kind=dp), dimension(3), intent(in), optional	shift,
		logical, intent(in), optional	full_grid
	)

...

Parameters

csym	...
nk	...
symm	...
shift	...
full_grid	...

Definition at line 208 of file cryssym.F.

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apply_rotation_coord()

subroutine, public cryssym::apply_rotation_coord	(	integer, dimension(:), intent(inout)	f0,
		type(csym_type)	csym,
		integer, intent(in)	ir
	)

...

Parameters

f0	...
csym	...
ir	...

Definition at line 472 of file cryssym.F.

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print_crys_symmetry()

subroutine, public cryssym::print_crys_symmetry

(

type(csym_type)

csym

)

...

Parameters

csym

...

Definition at line 509 of file cryssym.F.

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print_kp_symmetry()

subroutine, public cryssym::print_kp_symmetry

(

type(csym_type), intent(in)

csym

)

...

Parameters

csym

...

Definition at line 542 of file cryssym.F.

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