From 38a83e4a1d5bb38c58c6ce6ae44b15fab861b5d2 Mon Sep 17 00:00:00 2001 From: Antoine Marie Date: Wed, 3 Jul 2024 17:06:54 +0200 Subject: [PATCH] change one print in ppLR to allow for more decimals --- src/LR/ppLR_transition_vectors.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/LR/ppLR_transition_vectors.f90 b/src/LR/ppLR_transition_vectors.f90 index 8d48d6d..2c29aa7 100644 --- a/src/LR/ppLR_transition_vectors.f90 +++ b/src/LR/ppLR_transition_vectors.f90 @@ -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),' = ',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),' = ',S2 print*,'-------------------------------------------------------------'