mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-09-01 13:43:40 +02:00
update au to eV
This commit is contained in:
parent
1d4ec1ce93
commit
f4b5cf7abf
@ -120,8 +120,8 @@ subroutine run
|
||||
print*,'******************************'
|
||||
print*,'Excitation energies (eV) (CISD+Q)'
|
||||
do i = 2, N_states
|
||||
print*, i ,(CI_energy(i) - CI_energy(1))/0.0367502d0, &
|
||||
(cisdq(i) - cisdq(1)) / 0.0367502d0
|
||||
print*, i ,(CI_energy(i) - CI_energy(1))*27.211396641308d0, &
|
||||
(cisdq(i) - cisdq(1)) * 27.211396641308d0
|
||||
enddo
|
||||
endif
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user