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Add HSE-specific vdW parameters for dftd3 and dftd3-bj to MPHSERelaxSet. #3914
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Add HSE-specific vdW parameters for dftd3 and dftd3-bj to MPHSERelaxSet. #3914
hongyi-zhao
wants to merge
9
commits into
materialsproject:master
from
hongyi-zhao:add-hse-vdw-parameters
Commits on Jun 26, 2024
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Commits on Jul 6, 2024
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Support PBE_64 POTCAR in MPScanRelaxSet
- Added PBE_64 to the list of valid POTCARs. - Updated documentation to include PBE_64.
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Commits on Jul 7, 2024
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Add HSE-specific vdW parameters to MPHSERelaxSet
* Add HSE-optimized vdW parameters for dftd3 and dftd3-bj
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