mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-22 03:23:29 +01:00
19 lines
416 B
INI
19 lines
416 B
INI
|
[exchange_functional]
|
||
|
|
type: character*(32)
|
||
|
|
doc: name of the exchange functional
|
||
|
|
interface: ezfio, provider, ocaml
|
||
|
|
default: short_range_LDA
|
||
|
|
|
||
|
|
[correlation_functional]
|
||
|
|
type: character*(32)
|
||
|
|
doc: name of the correlation functional
|
||
|
|
interface: ezfio, provider, ocaml
|
||
|
|
default: short_range_LDA
|
||
|
|
|
||
|
|
[HF_exchange]
|
||
|
|
type: double precision
|
||
|
|
doc: Percentage of HF exchange in the DFT model
|
||
|
|
interface: ezfio,provider,ocaml
|
||
|
|
default: 0.
|
||
|
|
|