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change one print in ppLR to allow for more decimals

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This commit is contained in:
Antoine Marie 2024-07-03 17:06:54 +02:00
parent 7a1238669d
commit 38a83e4a1d
1 changed files with 2 additions and 2 deletions
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src/LR/ppLR_transition_vectors.f90
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@ -69,7 +69,7 @@ subroutine ppLR_transition_vectors(spin_allowed,nBas,nC,nO,nV,nR,nOO,nVV,dipole_
end if
print*,'-------------------------------------------------------------'
write(*,'(A20,I3,A2,F10.6,A3,A6,F6.4,A11,F6.4)') &
write(*,'(A20,I3,A2,F12.6,A3,A6,F6.4,A11,F6.4)') &
' p-p excitation n. ',ab,': ',Om1(ab)*HaToeV,' eV',' f = ',os1(ab),' <S**2> = ',S2
print*,'-------------------------------------------------------------'
@ -140,7 +140,7 @@ subroutine ppLR_transition_vectors(spin_allowed,nBas,nC,nO,nV,nR,nOO,nVV,dipole_
end if
print*,'-------------------------------------------------------------'
write(*,'(A20,I3,A2,F10.6,A3,A6,F6.4,A11,F6.4)') &
write(*,'(A20,I3,A2,F12.6,A3,A6,F6.4,A11,F6.4)') &
' h-h excitation n. ',ij,': ',Om2(ij)*HaToeV,' eV',' f = ',os2(ij),' <S**2> = ',S2
print*,'-------------------------------------------------------------'