(git:c5411e0)
Loading...
Searching...
No Matches
Data Fields
external_potential_types::all_potential_type Type Reference

Data Fields

character(len=default_string_length) name = ""
 
character(len=default_string_length), dimension(2) description = ["All-electron potential ", "Krack, Parrinello, PCCP 2, 2105 (2000)"]
 
real(kind=dp) alpha_core_charge = 0.0_dp
 
real(kind=dp) ccore_charge = 0.0_dp
 
real(kind=dp) core_charge_radius = 0.0_dp
 
real(kind=dp) zeff = 0.0_dp
 
real(kind=dp) zeff_correction = 0.0_dp
 
integer z = 0
 
integer, dimension(:), pointer elec_conf => NULL()
 

Detailed Description

Definition at line 70 of file external_potential_types.F.

Field Documentation

◆ name

character(len=default_string_length) external_potential_types::all_potential_type::name = ""

Definition at line 72 of file external_potential_types.F.

◆ description

character(len=default_string_length), dimension(2) external_potential_types::all_potential_type::description = ["All-electron potential ", "Krack, Parrinello, PCCP 2, 2105 (2000)"]

Definition at line 73 of file external_potential_types.F.

◆ alpha_core_charge

real(kind=dp) external_potential_types::all_potential_type::alpha_core_charge = 0.0_dp

Definition at line 76 of file external_potential_types.F.

◆ ccore_charge

real(kind=dp) external_potential_types::all_potential_type::ccore_charge = 0.0_dp

Definition at line 76 of file external_potential_types.F.

◆ core_charge_radius

real(kind=dp) external_potential_types::all_potential_type::core_charge_radius = 0.0_dp

Definition at line 76 of file external_potential_types.F.

◆ zeff

real(kind=dp) external_potential_types::all_potential_type::zeff = 0.0_dp

Definition at line 76 of file external_potential_types.F.

◆ zeff_correction

real(kind=dp) external_potential_types::all_potential_type::zeff_correction = 0.0_dp

Definition at line 76 of file external_potential_types.F.

◆ z

integer external_potential_types::all_potential_type::z = 0

Definition at line 80 of file external_potential_types.F.

◆ elec_conf

integer, dimension(:), pointer external_potential_types::all_potential_type::elec_conf => NULL()

Definition at line 81 of file external_potential_types.F.

The documentation for this type was generated from the following file: