Merge pull request #5176 from prckent/fixnl

Increase C 1x1x1 pp non-local error bar in short test
QMCPACK · Sep 20, 2024 · 0a97591 · 0a97591
2 parents da5c057 + 3f4237f
commit 0a97591
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/tests/solids/diamondC_1x1x1_pp/CMakeLists.txt b/tests/solids/diamondC_1x1x1_pp/CMakeLists.txt
@@ -4,7 +4,7 @@ list(APPEND DIAMOND_SCALARS "potential" "-21.925822 0.018")
 list(APPEND DIAMOND_SCALARS "eeenergy" "-2.700534 0.0043")
 list(APPEND DIAMOND_SCALARS "ionion" "-12.77567000 0.001")
 list(APPEND DIAMOND_SCALARS "localecp" "-7.046740 0.030")
-list(APPEND DIAMOND_SCALARS "nonlocalecp" "0.597119 0.0056")
+list(APPEND DIAMOND_SCALARS "nonlocalecp" "0.597119 0.0065")
 list(APPEND DIAMOND_SCALARS "samples" "128000 0.0")
 list(APPEND DIAMOND_SCALARS "mpc" "-2.453044 0.004431")
 #  LIST(APPEND DIAMOND_SCALARS "flux" "0.0 0.4")