From f8737fe1fe14126b1d08cbd1dc52ab42b895a8ea Mon Sep 17 00:00:00 2001
From: he-zilong <azulena-he@outlook.com>
Date: Fri, 24 Apr 2026 14:24:12 +0800
Subject: [PATCH] Decrease trust_radius and max_scf

---
 tests/QS/regtest-gpw-4/TEST_FILES.toml  | 4 ++--
 tests/QS/regtest-gpw-4/quartz-kv-ks.inp | 4 ++--
 tests/QS/regtest-gpw-4/quartz-kv.inp    | 4 ++--
 tests/QS/regtest-spgr/TEST_FILES.toml   | 2 +-
 tests/QS/regtest-spgr/quartz-kv-ksg.inp | 4 ++--
 5 files changed, 9 insertions(+), 9 deletions(-)

diff --git a/tests/QS/regtest-gpw-4/TEST_FILES.toml b/tests/QS/regtest-gpw-4/TEST_FILES.toml
index cac48a25fd..578ec755a4 100644
--- a/tests/QS/regtest-gpw-4/TEST_FILES.toml
+++ b/tests/QS/regtest-gpw-4/TEST_FILES.toml
@@ -75,6 +75,6 @@
 # gapw + npt
 "H2O-gapw.inp"                          = [{matcher="E_total", tol=3e-14, ref=-17.138804316237351}]
 # keep_volume for cell_opt
-"quartz-kv.inp"                        = [{matcher="E_total", tol=1.0E-14, ref=-107.73364574256522}]
-"quartz-kv-ks.inp"                     = [{matcher="E_total", tol=1.0E-14, ref=-107.73639782345678}]
+"quartz-kv.inp"                        = [{matcher="E_total", tol=1.0E-14, ref=-107.72812359038488}]
+"quartz-kv-ks.inp"                     = [{matcher="E_total", tol=1.0E-14, ref=-107.73031100095275}]
 #EOF
diff --git a/tests/QS/regtest-gpw-4/quartz-kv-ks.inp b/tests/QS/regtest-gpw-4/quartz-kv-ks.inp
index f55945f9ca..2148e001ac 100644
--- a/tests/QS/regtest-gpw-4/quartz-kv-ks.inp
+++ b/tests/QS/regtest-gpw-4/quartz-kv-ks.inp
@@ -11,7 +11,7 @@
     MAX_ITER 3
     OPTIMIZER BFGS
     &BFGS
-      TRUST_RADIUS 1.5E-1
+      TRUST_RADIUS 1.0E-1
     &END BFGS
   &END CELL_OPT
   &PRINT
@@ -36,7 +36,7 @@
     &END POISSON
     &SCF
       EPS_SCF 1.E-5
-      MAX_SCF 10
+      MAX_SCF 6
       SCF_GUESS ATOMIC
       &OT T
         MINIMIZER CG
diff --git a/tests/QS/regtest-gpw-4/quartz-kv.inp b/tests/QS/regtest-gpw-4/quartz-kv.inp
index 2031667619..046f5dce07 100644
--- a/tests/QS/regtest-gpw-4/quartz-kv.inp
+++ b/tests/QS/regtest-gpw-4/quartz-kv.inp
@@ -10,7 +10,7 @@
     MAX_ITER 3
     OPTIMIZER BFGS
     &BFGS
-      TRUST_RADIUS 1.5E-1
+      TRUST_RADIUS 1.0E-1
     &END BFGS
   &END CELL_OPT
   &PRINT
@@ -35,7 +35,7 @@
     &END POISSON
     &SCF
       EPS_SCF 1.E-5
-      MAX_SCF 10
+      MAX_SCF 6
       SCF_GUESS ATOMIC
       &OT T
         MINIMIZER CG
diff --git a/tests/QS/regtest-spgr/TEST_FILES.toml b/tests/QS/regtest-spgr/TEST_FILES.toml
index d920ca81de..13319b0369 100644
--- a/tests/QS/regtest-spgr/TEST_FILES.toml
+++ b/tests/QS/regtest-spgr/TEST_FILES.toml
@@ -5,5 +5,5 @@
 #      for details see cp2k/tools/do_regtest
 "copper.inp"                            = [{matcher="M093", tol=0, ref=225}]
 "quartz.inp"                            = [{matcher="M093", tol=0, ref=154}]
-"quartz-kv-ksg.inp"                     = [{matcher="E_total", tol=1.0E-14, ref=-107.73642099239632}]
+"quartz-kv-ksg.inp"                     = [{matcher="E_total", tol=1.0E-14, ref=-107.73033699961418}]
 #EOF
diff --git a/tests/QS/regtest-spgr/quartz-kv-ksg.inp b/tests/QS/regtest-spgr/quartz-kv-ksg.inp
index 4ea8f2e9d9..f3a2a60e6c 100644
--- a/tests/QS/regtest-spgr/quartz-kv-ksg.inp
+++ b/tests/QS/regtest-spgr/quartz-kv-ksg.inp
@@ -14,7 +14,7 @@
     MAX_ITER 3
     OPTIMIZER BFGS
     &BFGS
-      TRUST_RADIUS 1.5E-1
+      TRUST_RADIUS 1.0E-1
     &END BFGS
   &END CELL_OPT
   &PRINT
@@ -39,7 +39,7 @@
     &END POISSON
     &SCF
       EPS_SCF 1.E-5
-      MAX_SCF 10
+      MAX_SCF 6
       SCF_GUESS ATOMIC
       &OT T
         MINIMIZER CG