output_berkeleygw_oct_m Module Reference

Functions/Subroutines
subroutine, public	output_berkeleygw_init (nst, namespace, bgw, periodic_dim)
subroutine, public	output_berkeleygw (bgw, namespace, space, dir, st, gr, ks, hm, ions)
subroutine	zbgw_vxc_dat (bgw, namespace, space, dir, st, gr, hm, vxc)
subroutine	zbgw_vmtxel (bgw, namespace, dir, st, gr, ifmax)
	Calculate 'vmtxel' file of dipole matrix elements for BerkeleyGW BSE. More...
subroutine	zbgw_write_fs (namespace, iunit, field_r, field_g, shell, nspin, gr, cube, cf, is_wfn)
subroutine	dbgw_vxc_dat (bgw, namespace, space, dir, st, gr, hm, vxc)
subroutine	dbgw_vmtxel (bgw, namespace, dir, st, gr, ifmax)
	Calculate 'vmtxel' file of dipole matrix elements for BerkeleyGW BSE. More...
subroutine	dbgw_write_fs (namespace, iunit, field_r, field_g, shell, nspin, gr, cube, cf, is_wfn)

Function/Subroutine Documentation

output_berkeleygw_init()

subroutine, public output_berkeleygw_oct_m::output_berkeleygw_init	(	integer, intent(in)	nst,
		type(namespace_t), intent(in)	namespace,
		type(output_bgw_t), intent(out)	bgw,
		integer, intent(in)	periodic_dim
	)

Definition at line 159 of file output_berkeleygw.F90.

output_berkeleygw()

subroutine, public output_berkeleygw_oct_m::output_berkeleygw	(	type(output_bgw_t), intent(in)	bgw,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		character(len=*), intent(in)	dir,
		type(states_elec_t), intent(in)	st,
		type(grid_t), intent(in), target	gr,
		type(v_ks_t), intent(inout)	ks,
		type(hamiltonian_elec_t), intent(inout)	hm,
		type(ions_t), intent(in)	ions
	)

Definition at line 372 of file output_berkeleygw.F90.

zbgw_vxc_dat()

subroutine output_berkeleygw_oct_m::zbgw_vxc_dat ( type(output_bgw_t), intent(in)  bgw, type(namespace_t), intent(in)  namespace, class(space_t), intent(in)  space, character(len=*), intent(in)  dir, type(states_elec_t), intent(in), target  st, type(grid_t), intent(in)  gr, type(hamiltonian_elec_t), intent(inout)  hm, real(real64), dimension(:,:), intent(in)  vxc  )

private

Definition at line 732 of file output_berkeleygw.F90.

zbgw_vmtxel()

subroutine output_berkeleygw_oct_m::zbgw_vmtxel ( type(output_bgw_t), intent(in)  bgw, type(namespace_t), intent(in)  namespace, character(len=*), intent(in)  dir, type(states_elec_t), intent(in)  st, type(grid_t), intent(in)  gr, integer, dimension(:,:), intent(in)  ifmax  )

private

Calculate 'vmtxel' file of dipole matrix elements for BerkeleyGW BSE.

Definition at line 882 of file output_berkeleygw.F90.

zbgw_write_fs()

subroutine output_berkeleygw_oct_m::zbgw_write_fs ( type(namespace_t), intent(in)  namespace, integer, intent(in)  iunit, complex(real64), dimension(:,:), intent(in), target, contiguous  field_r, complex(real64), dimension(:,:), intent(inout), contiguous  field_g, type(fourier_shell_t), intent(in)  shell, integer, intent(in)  nspin, type(grid_t), intent(in)  gr, type(cube_t), intent(inout)  cube, type(cube_function_t), intent(inout)  cf, logical, intent(in)  is_wfn  )

private

Parameters

[in]

is_wfn

make false for RHO, VXC

Definition at line 948 of file output_berkeleygw.F90.

dbgw_vxc_dat()

subroutine output_berkeleygw_oct_m::dbgw_vxc_dat ( type(output_bgw_t), intent(in)  bgw, type(namespace_t), intent(in)  namespace, class(space_t), intent(in)  space, character(len=*), intent(in)  dir, type(states_elec_t), intent(in), target  st, type(grid_t), intent(in)  gr, type(hamiltonian_elec_t), intent(inout)  hm, real(real64), dimension(:,:), intent(in)  vxc  )

private

Definition at line 1121 of file output_berkeleygw.F90.

dbgw_vmtxel()

subroutine output_berkeleygw_oct_m::dbgw_vmtxel ( type(output_bgw_t), intent(in)  bgw, type(namespace_t), intent(in)  namespace, character(len=*), intent(in)  dir, type(states_elec_t), intent(in)  st, type(grid_t), intent(in)  gr, integer, dimension(:,:), intent(in)  ifmax  )

private

Calculate 'vmtxel' file of dipole matrix elements for BerkeleyGW BSE.

Definition at line 1271 of file output_berkeleygw.F90.

dbgw_write_fs()

subroutine output_berkeleygw_oct_m::dbgw_write_fs ( type(namespace_t), intent(in)  namespace, integer, intent(in)  iunit, real(real64), dimension(:,:), intent(in), target, contiguous  field_r, complex(real64), dimension(:,:), intent(inout), contiguous  field_g, type(fourier_shell_t), intent(in)  shell, integer, intent(in)  nspin, type(grid_t), intent(in)  gr, type(cube_t), intent(inout)  cube, type(cube_function_t), intent(inout)  cf, logical, intent(in)  is_wfn  )

private

Parameters

[in]

is_wfn

make false for RHO, VXC

Definition at line 1337 of file output_berkeleygw.F90.