Merge pull request dftbplus#1376 from bhourahine/ionDynamicsErrMsg

Clarify error message a bit for users
jubich · Jan 30, 2024 · 13588bb · 13588bb
2 parents 73f1bd3 + 9eaaff3
commit 13588bb
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/dftbp/timedep/timeprop.F90 b/src/dftbp/timedep/timeprop.F90
@@ -883,8 +883,8 @@ subroutine TElecDynamics_init(this, inp, species, speciesName, tWriteAutotest, a
 
     if (this%tIons) then
       if (.not. this%tRealHS) then
-        @:RAISE_ERROR(errStatus, -1, "Ion dynamics is not implemented yet for imaginary&
-            & Hamiltonians.")
+        @:RAISE_ERROR(errStatus, -1, "Ion dynamics is not implemented yet for complex&
+            & hamiltonians (k-points, spin-orbit, ...).")
       end if
       this%tForces = .true.
       this%indMovedAtom = inp%indMovedAtom