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Fixes reference INCARs for MPSCANRelaxSet calculations to correspond to the current setting of LELF.
1 parent 52608a1 commit 174e0b7

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8 files changed

+8
-8
lines changed
  • atomate/vasp/test_files
    • PBESol_pre_opt_for_SCAN_Al/inputs
    • PBESol_pre_opt_for_SCAN_LiF_vdw/inputs
    • PBESol_pre_opt_for_SCAN_LiF/inputs
    • PBESol_pre_opt_for_SCAN_LiH/inputs
    • SCAN_structure_optimization_Al/inputs
    • SCAN_structure_optimization_LiF_vdw/inputs
    • SCAN_structure_optimization_LiF/inputs
    • SCAN_structure_optimization_LiH/inputs

8 files changed

+8
-8
lines changed

atomate/vasp/test_files/PBESol_pre_opt_for_SCAN_Al/inputs/INCAR

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@ KSPACING = 0.22
1212
LAECHG = True
1313
LASPH = True
1414
LCHARG = True
15-
LELF = True
15+
LELF = False
1616
LMIXTAU = True
1717
LORBIT = 11
1818
LREAL = Auto

atomate/vasp/test_files/PBESol_pre_opt_for_SCAN_LiF/inputs/INCAR

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@ KSPACING = 0.22
1212
LAECHG = True
1313
LASPH = True
1414
LCHARG = True
15-
LELF = True
15+
LELF = False
1616
LMIXTAU = True
1717
LORBIT = 11
1818
LREAL = Auto

atomate/vasp/test_files/PBESol_pre_opt_for_SCAN_LiF_vdw/inputs/INCAR

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@ KSPACING = 0.22
1212
LAECHG = True
1313
LASPH = True
1414
LCHARG = True
15-
LELF = True
15+
LELF = False
1616
LMIXTAU = True
1717
LORBIT = 11
1818
LREAL = Auto

atomate/vasp/test_files/PBESol_pre_opt_for_SCAN_LiH/inputs/INCAR

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@ KSPACING = 0.22
1212
LAECHG = True
1313
LASPH = True
1414
LCHARG = True
15-
LELF = True
15+
LELF = False
1616
LMIXTAU = True
1717
LORBIT = 11
1818
LREAL = Auto

atomate/vasp/test_files/SCAN_structure_optimization_Al/inputs/INCAR

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@ KSPACING = 0.22
1212
LAECHG = True
1313
LASPH = True
1414
LCHARG = True
15-
LELF = True
15+
LELF = False
1616
LMIXTAU = True
1717
LORBIT = 11
1818
LREAL = Auto

atomate/vasp/test_files/SCAN_structure_optimization_LiF/inputs/INCAR

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@ KSPACING = 0.44
1212
LAECHG = True
1313
LASPH = True
1414
LCHARG = True
15-
LELF = True
15+
LELF = False
1616
LMIXTAU = True
1717
LORBIT = 11
1818
LREAL = Auto

atomate/vasp/test_files/SCAN_structure_optimization_LiF_vdw/inputs/INCAR

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@ KSPACING = 0.44
1212
LAECHG = True
1313
LASPH = True
1414
LCHARG = True
15-
LELF = True
15+
LELF = False
1616
LMIXTAU = True
1717
LORBIT = 11
1818
LREAL = Auto

atomate/vasp/test_files/SCAN_structure_optimization_LiH/inputs/INCAR

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@ KSPACING = 0.34292160173571584
1212
LAECHG = True
1313
LASPH = True
1414
LCHARG = True
15-
LELF = True
15+
LELF = False
1616
LMIXTAU = True
1717
LORBIT = 11
1818
LREAL = Auto

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