From d6d8b0586c60cd3184e9e419b476ddaf5f7219d1 Mon Sep 17 00:00:00 2001
From: bpradines <barth371@hotmail.com>
Date: Fri, 26 Feb 2021 10:18:42 +0100
Subject: [PATCH] added basis_correction/print_su_pbe_ot.irp.f

---
 src/basis_correction/print_su_pbe_ot.irp.f | 28 ++++++++++++++++++++++
 1 file changed, 28 insertions(+)
 create mode 100644 src/basis_correction/print_su_pbe_ot.irp.f

diff --git a/src/basis_correction/print_su_pbe_ot.irp.f b/src/basis_correction/print_su_pbe_ot.irp.f
new file mode 100644
index 00000000..49f90ade
--- /dev/null
+++ b/src/basis_correction/print_su_pbe_ot.irp.f
@@ -0,0 +1,28 @@
+program basis_corr_su_pbe_ot
+  implicit none
+  BEGIN_DOC
+! TODO : Put the documentation of the program here
+  END_DOC
+  read_wf = .True.
+  touch read_wf
+  no_core_density = .True.
+  touch no_core_density
+  if(io_mo_two_e_integrals .ne. "Read")then
+   provide ao_two_e_integrals_in_map
+  endif
+  provide mo_two_e_integrals_in_map
+  call print_su_pbe_ot
+ 
+end
+
+subroutine print_su_pbe_ot
+ implicit none
+ integer :: istate 
+ do istate = 1, N_states
+  write(*, '(A29,X,I3,X,A3,X,F16.10)') '  ECMD PBE-UEG       , state ',istate,' = ',ecmd_pbe_ueg_mu_of_r(istate)
+ enddo
+ do istate = 1, N_states
+  write(*, '(A29,X,I3,X,A3,X,F16.10)') '  ECMD SU-PBE-OT     , state ',istate,' = ',ecmd_pbe_on_top_su_mu_of_r(istate)
+ enddo
+
+end