Small change to improve consistency for force calculations.

RMGDFT · Mar 29, 2023 · 8c51530 · 8c51530
1 parent 80fe7b1
commit 8c51530
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/US_PP/InitDelocalizedObject.cpp b/US_PP/InitDelocalizedObject.cpp
@@ -69,6 +69,7 @@ void InitDelocalizedObject(double *sumobject, double * &ionobject, int object_ty
     for(int ion = 0;ion < ct.num_ions;ion++)  pct.loc_ions_list[ion] = ion;
 
     double gcut = sqrt(fine_pwaves->gcut*tpiba2);
+    if(object_type == ATOMIC_LOCAL_PP) gcut = sqrt(coarse_pwaves->gcut*tpiba2);
 
     // for each type of atoms, initilize localpp in g space
     for (int isp = 0; isp < ct.num_species; isp++)