electrons

Describes the electrons. For the moment, only the number of alpha and beta electrons are provided by this module.

Assumptions

EZFIO parameters

elec_alpha_num

Numbers of electrons alpha (“up”)

elec_beta_num

Numbers of electrons beta (“down”)

elec_num

Numbers total of electrons (alpha + beta)

Default: = electrons.elec_alpha_num + electrons.elec_beta_num

Providers

elec_num

File : electrons/electrons.irp.f

integer :: elec_num
integer, allocatable    :: elec_num_tab (2)

Numbers of alpha (“up”) , beta (“down”) and total electrons

Needs:

  • elec_alpha_num
  • elec_beta_num

Needed by:

elec_num_tab

File : electrons/electrons.irp.f

integer :: elec_num
integer, allocatable    :: elec_num_tab (2)

Numbers of alpha (“up”) , beta (“down”) and total electrons

Needs:

  • elec_alpha_num
  • elec_beta_num

Needed by: