Test: Update 119_PW_out_elf and 919_OF_out_elf

deepmodeling · Sep 23, 2024 · 53c1794 · 53c1794
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Showing 6 changed files with 431 additions and 2,994 deletions.
diff --git a/tests/integrate/119_PW_out_elf/INPUT b/tests/integrate/119_PW_out_elf/INPUT
@@ -8,7 +8,7 @@ symmetry		1
 pseudo_dir	../../PP_ORB
 
 #Parameters (2.Iteration)
-ecutwfc			20
+ecutwfc			5
 scf_thr				1e-9
 scf_nmax			100
 

diff --git a/tests/integrate/119_PW_out_elf/refELF.cube b/tests/integrate/119_PW_out_elf/refELF.cube
diff --git a/tests/integrate/119_PW_out_elf/result.ref b/tests/integrate/119_PW_out_elf/result.ref
@@ -1,7 +1,7 @@
-etotref -197.1405644352711
-etotperatomref -98.5702822176
-ComparePot1_pass 0
+etotref -194.6234112615314
+etotperatomref -97.3117056308
+ComparePot1_pass 1
 pointgroupref T_d
 spacegroupref O_h
 nksibzref 1
-totaltimeref 0.56
+totaltimeref 0.25
diff --git a/tests/integrate/919_OF_out_elf/INPUT b/tests/integrate/919_OF_out_elf/INPUT
@@ -10,7 +10,7 @@ pseudo_rcut 16
 nspin        1
 
 #Parameters (2.Iteration)
-ecutwfc		20
+ecutwfc		5
 scf_nmax	50
 
 #OFDFT