fix mismatching INCAR tags in test_hse_optics()

materialsproject · Oct 4, 2023 · 18cef6a · 18cef6a
1 parent bda817a
commit 18cef6a
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Showing 2 changed files with 8 additions and 5 deletions.
diff --git a/tests/test_data/vasp/Si_hse_optics/hse_optics/inputs/INCAR b/tests/test_data/vasp/Si_hse_optics/hse_optics/inputs/INCAR
@@ -1,4 +1,4 @@
-ALGO = All
+ALGO = Normal
 EDIFF = 1e-05
 ENAUG = 1360.0
 ENCUT = 680.0
@@ -20,10 +20,12 @@ LVTOT = True
 LWAVE = False
 NBANDS = 11
 NCORE = 4
-NEDOS = 5062
+NEDOS = 1265
 NELM = 200
 NELMIN = 5
 NSW = 0
 PREC = Accurate
 PRECFOCK = Fast
 SIGMA = 0.05
+CSHIFT = 1e-5
+LDAU = False
diff --git a/tests/test_data/vasp/Si_hse_optics/hse_static/inputs/INCAR b/tests/test_data/vasp/Si_hse_optics/hse_static/inputs/INCAR
@@ -1,4 +1,4 @@
-ALGO = All
+ALGO = Normal
 EDIFF = 1e-05
 ENAUG = 1360
 ENCUT = 680
@@ -10,10 +10,11 @@ KSPACING = 0.5
 LAECHG = True
 LASPH = True
 LCHARG = True
-LELF = True
+LELF = False
 LHFCALC = True
 LMIXTAU = True
 LORBIT = 11
+LDAU = False
 LREAL = False
 LVTOT = True
 LWAVE = False
@@ -23,4 +24,4 @@ NELM = 200
 NSW = 0
 PREC = Accurate
 PRECFOCK = Fast
-SIGMA = 0.05
+SIGMA = 0.2