Documentation for module xc_xalpha

Calculate the local exchange functional

source: xc_xalpha.F
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public Subroutines/Functions:

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SUBROUTINExalpha_info(lsd, reference, shortform, needs, max_deriv, xa_parameter, scaling)

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Arguments:
LOGICAL,
INTENT(in)
:: lsd ...
CHARACTER(*),
INTENT(out),
OPTIONAL
:: reference ...
CHARACTER(*),
INTENT(out),
OPTIONAL
:: shortform ...
INTENT(inout),
OPTIONAL
:: needs ...
INTEGER,
INTENT(out),
OPTIONAL
:: max_deriv ...
REAL(dp),
INTENT(in),
OPTIONAL
:: xa_parameter ...
REAL(dp),
INTENT(in),
OPTIONAL
:: scaling ...

SUBROUTINExalpha_lda_eval(rho_set, deriv_set, order, xa_params, xa_parameter)

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Arguments:
POINTER
:: rho_set ...
POINTER
:: deriv_set ...
INTEGER,
INTENT(in)
:: order ...
POINTER
:: xa_params ...
REAL(dp),
INTENT(in),
OPTIONAL
:: xa_parameter ...

SUBROUTINExalpha_lsd_eval(rho_set, deriv_set, order, xa_params, xa_parameter)

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Arguments:
POINTER
:: rho_set ...
POINTER
:: deriv_set ...
INTEGER,
INTENT(in)
:: order ...
POINTER
:: xa_params ...
REAL(dp),
INTENT(in),
OPTIONAL
:: xa_parameter ...