sort the basis in the low-scaling GW performance test to improve perf…

…ormance
cp2k · Apr 8, 2020 · 063995b · 063995b
1 parent 674f4d1
commit 063995b
Showing 1 changed file with 4 additions and 3 deletions.
diff --git a/benchmarks/QS_low_scaling_GW/GW.inp b/benchmarks/QS_low_scaling_GW/GW.inp
@@ -1,9 +1,10 @@
 &FORCE_EVAL
   METHOD Quickstep
   &DFT
-    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
-    BASIS_SET_FILE_NAME BASIS_RI_cc-TZ
-    POTENTIAL_FILE_NAME ALL_POTENTIALS
+    BASIS_SET_FILE_NAME  EMSL_BASIS_SETS
+    BASIS_SET_FILE_NAME  BASIS_RI_cc-TZ
+    POTENTIAL_FILE_NAME  ALL_POTENTIALS
+    SORT_BASIS           EXP
     &MGRID
       CUTOFF 400
       REL_CUTOFF 50