From 47cb956c82cf1a7792879bf814128fc2f114f98b Mon Sep 17 00:00:00 2001 From: Paul Kent Date: Tue, 24 Sep 2024 10:41:58 -0400 Subject: [PATCH] Increse C111 DMC KE error --- tests/solids/diamondC_1x1x1_pp/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/solids/diamondC_1x1x1_pp/CMakeLists.txt b/tests/solids/diamondC_1x1x1_pp/CMakeLists.txt index 7a792cc629..f909a5f4ce 100644 --- a/tests/solids/diamondC_1x1x1_pp/CMakeLists.txt +++ b/tests/solids/diamondC_1x1x1_pp/CMakeLists.txt @@ -109,7 +109,7 @@ qmc_run_and_check( # Reference DMC run in qmc-ref "-10.531583 0.000265" list(APPEND DIAMOND_DMC_SCALARS "totenergy" "-10.5316 0.0024") -list(APPEND DIAMOND_DMC_SCALARS "kinetic" "11.4857 0.0231") +list(APPEND DIAMOND_DMC_SCALARS "kinetic" "11.4857 0.03") list(APPEND DIAMOND_DMC_SCALARS "potential" "-22.0170 0.0239") list(APPEND DIAMOND_DMC_SCALARS "localecp" "-7.1518 0.0323") list(APPEND DIAMOND_DMC_SCALARS "nonlocalecp" "0.62688 0.01")