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janoshJaGeo
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fix Lobster tests failing due to "ValueError: INCAR value of LMAXMIX is inconsistent!"
Co-authored-by: J. George <[email protected]>
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  • atomate/vasp/test_files/lobster
    • complex_vasp_lobster_opt
    • complex_vasp_lobster/vasp/inputs

3 files changed

+6
-0
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atomate/vasp/test_files/lobster/complex_vasp_lobster/vasp/inputs/INCAR

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@@ -17,3 +17,5 @@ NPAR = 4
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NSW = 0
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PREC = Accurate
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SIGMA = 0.05
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LASPH = True
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LMAXMIX = 4

atomate/vasp/test_files/lobster/complex_vasp_lobster_opt/opt/inputs/INCAR

Lines changed: 2 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -17,3 +17,5 @@ NPAR = 4
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NSW = 99
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PREC = Accurate
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SIGMA = 0.05
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LASPH = True
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LMAXMIX = 4

atomate/vasp/test_files/lobster/complex_vasp_lobster_opt/vasp/inputs/INCAR

Lines changed: 2 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -17,3 +17,5 @@ NPAR = 4
1717
NSW = 0
1818
PREC = Accurate
1919
SIGMA = 0.05
20+
LASPH = True
21+
LMAXMIX = 4

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