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SOF-7477: set fully-relativistic pseudo in SOC default workflow (#85)
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pranabdas authored Oct 17, 2024
1 parent 306dbeb commit 0ea8701
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4 changes: 4 additions & 0 deletions assets/subworkflows/espresso/band_structure_soc.yml
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Expand Up @@ -4,6 +4,10 @@ application:
version: "7.3"
method:
name: PseudopotentialMethod
setSearchText: nc-fr
config:
type: pseudopotential
subtype: nc-fr
model:
name: DFTModel
units:
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