! ! Copyright (C) 2020 Quantum ESPRESSO group ! This file is distributed under the terms of the ! GNU General Public License. See the file `License' ! in the root directory of the present distribution, ! or http://www.gnu.org/copyleft/gpl.txt . ! !---------------------------------------------------------------------------- MODULE constants_l !---------------------------------------------------------------------------- !! A subset of the constants in 'Modules' folder of QE. Here the ones !! needed internally in xc_lib only. ! USE kind_l, ONLY : DP ! IMPLICIT NONE ! SAVE ! ! ... Mathematical constants ! REAL(DP), PARAMETER :: pi = 3.14159265358979323846_DP REAL(DP), PARAMETER :: tpi = 2.0_DP * pi REAL(DP), PARAMETER :: fpi = 4.0_DP * pi REAL(DP), PARAMETER :: sqrtpi = 1.77245385090551602729_DP REAL(DP), PARAMETER :: sqrtpm1= 1.0_DP / sqrtpi REAL(DP), PARAMETER :: sqrt2 = 1.41421356237309504880_DP ! ! ! ... Physical constants, atomic units: ! REAL(DP), PARAMETER :: H_PLANCK_SI = 6.62607015E-34_DP ! J s REAL(DP), PARAMETER :: HARTREE_SI = 4.3597447222071E-18_DP ! J REAL(DP), PARAMETER :: BOHR_RADIUS_SI = 0.529177210903E-10_DP ! m REAL(DP), PARAMETER :: C_SI = 2.99792458E+8_DP ! m sec^-1 ! REAL(DP), PARAMETER :: AU_SEC = H_PLANCK_SI/tpi/HARTREE_SI ! ! Speed of light in atomic units REAL(DP), PARAMETER :: C_AU = C_SI / BOHR_RADIUS_SI * AU_SEC ! ! ... zero up to a given accuracy ! REAL(DP), PARAMETER :: eps4 = 1.0E-4_DP REAL(DP), PARAMETER :: eps6 = 1.0E-6_DP REAL(DP), PARAMETER :: eps8 = 1.0E-8_DP REAL(DP), PARAMETER :: eps12 = 1.0E-12_DP REAL(DP), PARAMETER :: eps14 = 1.0E-14_DP REAL(DP), PARAMETER :: eps16 = 1.0E-16_DP REAL(DP), PARAMETER :: eps24 = 1.0E-24_DP REAL(DP), PARAMETER :: eps32 = 1.0E-32_DP ! REAL(DP), PARAMETER :: gsmall = 1.0E-12_DP ! REAL(DP), PARAMETER :: e2 = 2.0_DP ! the square of the electron charge ! END MODULE constants_l