Constants contain more digits than double precision, so that they are rounded correctly. More...

Variables
real(dp), parameter, public	pi = 3.1415926535897932384626433832795_dp

real(dp), parameter, public	e_ = 2.7182818284590452353602874713527_dp

complex(dp), parameter, public	i_ = (0, 1)

real(dp), parameter, public	ha2ev_2010 = 27.21138505_dp

real(dp), parameter, public	c_2010 = 137.035999074_dp

real(dp), parameter, public	c_2006 = 137.035999679_dp

real(dp), parameter	c_2002 = 137.03599911_dp

real(dp), parameter, public	c_1998 = 137.03599976_dp

real(dp), parameter, public	c_1986 = 137.0359895_dp

Detailed Description

Constants contain more digits than double precision, so that they are rounded correctly.

Single letter constants contain underscore so that they do not clash with user variables ("e" and "i" are frequently used as loop variables). The public parameters are enumerated below:

Parameters

c_year	values correspond to different CODATA standards for the inverse fine-structure constant
Ha2eV_year	values is the conversion factor for converting Hartree to eV as per varying CODATA standards
e_	is Euler's constant
i_	denotes one unit length along the complex axis as a conversion helper

Variable Documentation

◆ c_1986

real(dp), parameter, public gjp_constants::c_1986 = 137.0359895_dp

Definition at line 47 of file gjp_constants.f90.

47 real(dp), parameter :: c_1986 = 137.0359895_dp ! To compare with dftatom

◆ c_1998

real(dp), parameter, public gjp_constants::c_1998 = 137.03599976_dp

Definition at line 46 of file gjp_constants.f90.

46 real(dp), parameter :: c_1998 = 137.03599976_dp

◆ c_2002

real(dp), parameter gjp_constants::c_2002 = 137.03599911_dp

private

Definition at line 45 of file gjp_constants.f90.

45 real(dp), parameter :: c_2002 = 137.03599911_dp

◆ c_2006

real(dp), parameter, public gjp_constants::c_2006 = 137.035999679_dp

Definition at line 44 of file gjp_constants.f90.

44 real(dp), parameter :: c_2006 = 137.035999679_dp

◆ c_2010

real(dp), parameter, public gjp_constants::c_2010 = 137.035999074_dp

Definition at line 43 of file gjp_constants.f90.

43 real(dp), parameter :: c_2010 = 137.035999074_dp

◆ e_

real(dp), parameter, public gjp_constants::e_ = 2.7182818284590452353602874713527_dp

Definition at line 36 of file gjp_constants.f90.

36 real(dp), parameter :: e_ = 2.7182818284590452353602874713527_dp

◆ ha2ev_2010

real(dp), parameter, public gjp_constants::ha2ev_2010 = 27.21138505_dp

Definition at line 39 of file gjp_constants.f90.

39 real(dp), parameter :: Ha2eV_2010 = 27.21138505_dp ! 1 Ha = (1 * Ha2eV) eV

◆ i_

complex(dp), parameter, public gjp_constants::i_ = (0, 1)

Definition at line 37 of file gjp_constants.f90.

37 complex(dp), parameter :: i_ = (0, 1)

◆ pi

real(dp), parameter, public gjp_constants::pi = 3.1415926535897932384626433832795_dp

Definition at line 35 of file gjp_constants.f90.

35 real(dp), parameter :: pi = 3.1415926535897932384626433832795_dp

Variables