2019-01-25 11:39:31 +01:00
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[exchange_functional]
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type: character*(32)
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doc: name of the exchange functional
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interface: ezfio, provider, ocaml
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2020-03-30 19:30:29 +02:00
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default: sr_pbe
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2019-01-25 11:39:31 +01:00
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[correlation_functional]
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type: character*(32)
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doc: name of the correlation functional
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interface: ezfio, provider, ocaml
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2020-03-30 19:30:29 +02:00
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default: sr_pbe
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2019-01-25 11:39:31 +01:00
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[HF_exchange]
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type: double precision
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doc: Percentage of HF exchange in the DFT model
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interface: ezfio,provider,ocaml
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default: 0.
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