Stabilize si7c_broy_gapw_a04_restart.inp test

cp2k · Nov 20, 2018 · 9a68618 · 9a68618
1 parent d9b4edc
commit 9a68618
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Showing 2 changed files with 4 additions and 3 deletions.
diff --git a/tests/QS/regtest-gpw-5/TEST_FILES b/tests/QS/regtest-gpw-5/TEST_FILES
@@ -25,6 +25,6 @@ si7c_kerker_test4_nopmix.inp                           1      5e-13
 si7c_pulay_gapw.inp                                    1      5e-13             -32.83710556023730
 si7c_broy_gapw.inp                                     1      5e-13             -32.76991775855248
 si7c_broy_gapw_a04_atomic.inp                          1      5e-13             -32.83664474205771
-si7c_broy_gapw_a04_restart.inp                         1      5e-13             -32.83833607502124
+si7c_broy_gapw_a04_restart.inp                         1      5e-13             -32.70494373736445
 si7c_broy_gapw_a04_nopmix.inp                          1      5e-13             -32.84202168871438
 #EOF
diff --git a/tests/QS/regtest-gpw-5/si7c_broy_gapw_a04_restart.inp b/tests/QS/regtest-gpw-5/si7c_broy_gapw_a04_restart.inp
@@ -1,5 +1,5 @@
 &GLOBAL
-  PROJECT  si7c_broy_gapw
+  PROJECT si7c_broy_gapw_restart
   PRINT_LEVEL MEDIUM
   RUN_TYPE ENERGY
   FLUSH_SHOULD_FLUSH
@@ -14,6 +14,7 @@
   &DFT
     BASIS_SET_FILE_NAME GTH_BASIS_SETS
     POTENTIAL_FILE_NAME GTH_POTENTIALS
+    WFN_RESTART_FILE_NAME si7c_broy_gapw-RESTART.wfn
     &MGRID
       NGRIDS 4
       CUTOFF 100
@@ -27,7 +28,7 @@
     &END QS
     &SCF
       SCF_GUESS RESTART
-      MAX_SCF   10
+      MAX_SCF   1
       EPS_SCF 1.0e-7
       EPS_DIIS 1.0e-7
       &OUTER_SCF OFF