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SOF-7108: try fix for new pbesol functional
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pranabdas committed Nov 16, 2023
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6 changes: 5 additions & 1 deletion manifest/models.yaml
Original file line number Diff line number Diff line change
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- name: perdew-burke-ernzerhof
slug:
- pbe
- pbesol
reference:
doi: https://doi.org/10.1103/PhysRevLett.77.3865
- name: perdew-burke-ernzerhof-solid
slug:
- pbesol
reference:
doi: https://doi.org/10.1103/PhysRevLett.100.136406
# modifiers:
# type: array
# items:
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