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lines changed Original file line number Diff line number Diff line change @@ -630,7 +630,7 @@ def test_SCAN_no_bandgap(self):
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def test_SCAN_small_bandgap (self ):
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# A structure with a small bandgap (LiH) should result in a KSPACING
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- # value of 0.34292
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+ # value of 0.40503
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structure = Structure .from_file (
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os .path .join (reference_dir , "PBESol_pre_opt_for_SCAN_LiH/inputs" , "POSCAR" )
@@ -671,7 +671,7 @@ def test_SCAN_small_bandgap(self):
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incar = Incar .from_file (os .path .join (self ._get_launch_dir ()[1 ], "INCAR.gz" ))
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for p in incar .keys ():
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if p == "KSPACING" :
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- self .assertAlmostEqual (incar [p ], 0.34292 , 4 )
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+ self .assertAlmostEqual (incar [p ], 0.40503 , 4 )
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elif p == "SIGMA" :
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self .assertEqual (incar [p ], 0.05 )
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elif p == "ICHARG" :
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