From 8e650d45f4779519fe24cbf2b0612a2ebe40e7fa Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Tue, 30 May 2023 11:30:01 -0700
Subject: [PATCH] hyperfine coupling: stop when wavefunction is closed-shell
 https://github.com/nwchemgit/nwchem/issues/788

---
 src/property/prp.F | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/src/property/prp.F b/src/property/prp.F
index dbcf23ff74..b28173309c 100644
--- a/src/property/prp.F
+++ b/src/property/prp.F
@@ -186,6 +186,13 @@ c
         endif
         call hnd_hyperfine_ZORA(rtdb,basis,geom)
        end if
+      else
+         if (ga_nodeid().eq.0) then
+            write(luout,7000)
+ 7000 format(/,6x,'Indirect spin-spin coupling not calculated for RHF',
+     1       /,6x,'wave functions: needs UHF wave function')
+         endif
+         call errquit(' use ODFT input keyword ',0,0)
       end if
 c
 c     ----- electrostatic potential -----