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qp2/src/dft_keywords/EZFIO.cfg
2020-03-30 19:30:29 +02:00

19 lines
398 B
INI

[exchange_functional]
type: character*(32)
doc: name of the exchange functional
interface: ezfio, provider, ocaml
default: sr_pbe
[correlation_functional]
type: character*(32)
doc: name of the correlation functional
interface: ezfio, provider, ocaml
default: sr_pbe
[HF_exchange]
type: double precision
doc: Percentage of HF exchange in the DFT model
interface: ezfio,provider,ocaml
default: 0.