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1 parent c0ff6a4 commit ff5f0b0Copy full SHA for ff5f0b0
src/atomate2/vasp/flows/elph.py
@@ -110,6 +110,7 @@ class ElectronPhononMaker(Maker):
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bs_maker=NonSCFMaker(
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input_set_generator=NonSCFSetGenerator(
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reciprocal_density=100, # dense BS mesh
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+ user_incar_settings={"LORBIT": 10}, # disable site projections
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),
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task_document_kwargs={
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"strip_bandstructure_projections": True,
@@ -262,6 +263,7 @@ class HSEElectronPhononMaker(ElectronPhononMaker):
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bs_maker=HSEBSMaker(
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input_set_generator=HSEBSSetGenerator(
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user_kpoints_settings={"reciprocal_density": 200}, # dense BS mesh
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