get_effective_charge Interface

public interface get_effective_charge

Module Procedures

private elemental function get_effective_charge_num(num) result(zeff)

Get effective nuclear charge for a given atomic number

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: num

Atomic number

Return Value real(kind=wp)

Effective nuclear charge

private elemental function get_effective_charge_sym(sym) result(zeff)

Get effective nuclear charge for a given element symbol

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: sym

Element symbol

Return Value real(kind=wp)

Effective nuclear charge