From 7dfbe88a5ca61fa100e86532d2d4124e5b28b597 Mon Sep 17 00:00:00 2001 From: sunliang98 <1700011430@pku.edu.cn> Date: Thu, 11 Dec 2025 21:44:56 +0800 Subject: [PATCH] Test: Update the parameter and reference results of 23_OF_LPS --- tests/07_OFDFT/23_OF_LPS/INPUT | 3 +-- tests/07_OFDFT/23_OF_LPS/result.ref | 8 ++++---- 2 files changed, 5 insertions(+), 6 deletions(-) diff --git a/tests/07_OFDFT/23_OF_LPS/INPUT b/tests/07_OFDFT/23_OF_LPS/INPUT index 3c0bc2e6c5..1424de11fc 100644 --- a/tests/07_OFDFT/23_OF_LPS/INPUT +++ b/tests/07_OFDFT/23_OF_LPS/INPUT @@ -21,8 +21,7 @@ scf_nmax 50 of_kinetic wt of_method tn of_conv energy -of_tole 2e-6 +of_tole 2e-10 #Parameters (3.Basis) basis_type pw - diff --git a/tests/07_OFDFT/23_OF_LPS/result.ref b/tests/07_OFDFT/23_OF_LPS/result.ref index db38ca5101..98a09f87f3 100644 --- a/tests/07_OFDFT/23_OF_LPS/result.ref +++ b/tests/07_OFDFT/23_OF_LPS/result.ref @@ -1,8 +1,8 @@ -etotref -55.9081453813626368 -etotperatomref -55.9081453814 +etotref -55.9081453854520234 +etotperatomref -55.9081453855 totalforceref 0.000000 -totalstressref 282.735417 +totalstressref 282.762102 pointgroupref O_h spacegroupref O_h nksibzref 1 -totaltimeref 0.54 +totaltimeref 0.96