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qp2/src/dft_keywords/EZFIO.cfg

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2019-01-25 11:39:31 +01:00
[exchange_functional]
type: character*(32)
doc: name of the exchange functional
interface: ezfio, provider, ocaml
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default: sr_pbe
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[correlation_functional]
type: character*(32)
doc: name of the correlation functional
interface: ezfio, provider, ocaml
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default: sr_pbe
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[HF_exchange]
type: double precision
doc: Percentage of HF exchange in the DFT model
interface: ezfio,provider,ocaml
default: 0.
[mu_dft_type]
type: character*(32)
doc: type of mu(r) for rsdft [ cst ]
interface: ezfio, provider, ocaml
default: cst