Provides all information about a pseudopotential. More...

Data Fields
character(len=2)	symbol = ""

character(len=default_string_length)	pname = ""

integer, dimension(0:lmat)	econf = 0

real(dp)	zion = 0.0_dp

real(dp)	rc = 0.0_dp

integer	ncl = 0

real(dp), dimension(5)	cl = 0.0_dp

integer, dimension(0:lmat)	nl = 0

real(dp), dimension(0:lmat)	rcnl = 0.0_dp

real(dp), dimension(4, 4, 0:lmat)	hnl = 0.0_dp

logical	nlcc = .FALSE.

integer	nexp_nlcc = 0

real(kind=dp), dimension(10)	alpha_nlcc = 0.0_dp

integer, dimension(10)	nct_nlcc = 0

real(kind=dp), dimension(4, 10)	cval_nlcc = 0.0_dp

logical	lsdpot = .FALSE.

integer	nexp_lsd = 0

real(kind=dp), dimension(10)	alpha_lsd = 0.0_dp

integer, dimension(10)	nct_lsd = 0

real(kind=dp), dimension(4, 10)	cval_lsd = 0.0_dp

logical	lpotextended = .FALSE.

integer	nexp_lpot = 0

real(kind=dp), dimension(10)	alpha_lpot = 0.0_dp

integer, dimension(10)	nct_lpot = 0

real(kind=dp), dimension(4, 10)	cval_lpot = 0.0_dp

Detailed Description

Provides all information about a pseudopotential.

Definition at line 98 of file atom_types.F.

Field Documentation

◆ symbol

character(len=2) atom_types::atom_gthpot_type::symbol = ""

Definition at line 99 of file atom_types.F.

◆ pname

character(len=default_string_length) atom_types::atom_gthpot_type::pname = ""

Definition at line 100 of file atom_types.F.

◆ econf

integer, dimension(0:lmat) atom_types::atom_gthpot_type::econf = 0

Definition at line 101 of file atom_types.F.

◆ zion

real(dp) atom_types::atom_gthpot_type::zion = 0.0_dp

Definition at line 102 of file atom_types.F.

◆ rc

real(dp) atom_types::atom_gthpot_type::rc = 0.0_dp

Definition at line 103 of file atom_types.F.

◆ ncl

integer atom_types::atom_gthpot_type::ncl = 0

Definition at line 104 of file atom_types.F.

◆ cl

real(dp), dimension(5) atom_types::atom_gthpot_type::cl = 0.0_dp

Definition at line 105 of file atom_types.F.

◆ nl

integer, dimension(0:lmat) atom_types::atom_gthpot_type::nl = 0

Definition at line 106 of file atom_types.F.

◆ rcnl

real(dp), dimension(0:lmat) atom_types::atom_gthpot_type::rcnl = 0.0_dp

Definition at line 107 of file atom_types.F.

◆ hnl

real(dp), dimension(4, 4, 0:lmat) atom_types::atom_gthpot_type::hnl = 0.0_dp

Definition at line 108 of file atom_types.F.

◆ nlcc

logical atom_types::atom_gthpot_type::nlcc = .FALSE.

Definition at line 111 of file atom_types.F.

◆ nexp_nlcc

integer atom_types::atom_gthpot_type::nexp_nlcc = 0

Definition at line 112 of file atom_types.F.

◆ alpha_nlcc

real(kind=dp), dimension(10) atom_types::atom_gthpot_type::alpha_nlcc = 0.0_dp

Definition at line 113 of file atom_types.F.

◆ nct_nlcc

integer, dimension(10) atom_types::atom_gthpot_type::nct_nlcc = 0

Definition at line 114 of file atom_types.F.

◆ cval_nlcc

real(kind=dp), dimension(4, 10) atom_types::atom_gthpot_type::cval_nlcc = 0.0_dp

Definition at line 115 of file atom_types.F.

◆ lsdpot

logical atom_types::atom_gthpot_type::lsdpot = .FALSE.

Definition at line 117 of file atom_types.F.

◆ nexp_lsd

integer atom_types::atom_gthpot_type::nexp_lsd = 0

Definition at line 118 of file atom_types.F.

◆ alpha_lsd

real(kind=dp), dimension(10) atom_types::atom_gthpot_type::alpha_lsd = 0.0_dp

Definition at line 119 of file atom_types.F.

◆ nct_lsd

integer, dimension(10) atom_types::atom_gthpot_type::nct_lsd = 0

Definition at line 120 of file atom_types.F.

◆ cval_lsd

real(kind=dp), dimension(4, 10) atom_types::atom_gthpot_type::cval_lsd = 0.0_dp

Definition at line 121 of file atom_types.F.

◆ lpotextended

logical atom_types::atom_gthpot_type::lpotextended = .FALSE.

Definition at line 123 of file atom_types.F.

◆ nexp_lpot

integer atom_types::atom_gthpot_type::nexp_lpot = 0

Definition at line 124 of file atom_types.F.

◆ alpha_lpot

real(kind=dp), dimension(10) atom_types::atom_gthpot_type::alpha_lpot = 0.0_dp

Definition at line 125 of file atom_types.F.

◆ nct_lpot

integer, dimension(10) atom_types::atom_gthpot_type::nct_lpot = 0

Definition at line 126 of file atom_types.F.

◆ cval_lpot

real(kind=dp), dimension(4, 10) atom_types::atom_gthpot_type::cval_lpot = 0.0_dp

Definition at line 127 of file atom_types.F.

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

atom_types.F

Data Fields