9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-12 10:51:31 +02:00
qp2/src/utils/units.irp.f

33 lines
712 B
Fortran
Raw Normal View History

2023-02-16 10:46:16 +01:00
BEGIN_PROVIDER [double precision, ha_to_ev]
2023-03-11 22:12:48 +01:00
&BEGIN_PROVIDER [double precision, au_to_D]
&BEGIN_PROVIDER [double precision, planck_cte]
&BEGIN_PROVIDER [double precision, light_speed]
&BEGIN_PROVIDER [double precision, Ha_to_J]
&BEGIN_PROVIDER [double precision, Ha_to_nm]
2023-02-16 10:46:16 +01:00
implicit none
2023-03-11 22:12:48 +01:00
2023-02-16 10:46:16 +01:00
BEGIN_DOC
2023-03-11 22:12:48 +01:00
! Some conversion between different units
2023-02-16 10:46:16 +01:00
END_DOC
2023-03-11 22:12:48 +01:00
! Hartree to eV
Ha_to_eV = 27.211396641308d0
2023-02-16 10:46:16 +01:00
2023-03-11 22:12:48 +01:00
! au to Debye
au_to_D = 2.5415802529d0
2023-02-16 10:46:16 +01:00
2023-03-11 22:12:48 +01:00
! Planck's constant in SI units
planck_cte = 6.62606957d-34
2023-02-16 10:46:16 +01:00
2023-03-11 22:12:48 +01:00
! Light speed in SI units
light_speed = 2.99792458d10
2023-02-16 10:46:16 +01:00
2023-03-11 22:12:48 +01:00
! Hartree to Joule
Ha_to_J = 4.35974434d-18
2023-02-16 10:46:16 +01:00
2023-03-11 22:12:48 +01:00
! Hartree to nm
Ha_to_nm = 1d9 * (planck_cte * light_speed) / Ha_to_J
2023-02-16 10:46:16 +01:00
2023-03-11 22:12:48 +01:00
END_PROVIDER