Documentation for module xc_ke_gga

Calculate the several different kinetic energy functionals with a GGA form

source: xc_ke_gga.F
Loading...

public Subroutines/Functions:

...
...
...

SUBROUTINEke_gga_info(functional, lsd, reference, shortform, needs, max_deriv)

...

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

SUBROUTINEke_gga_lda_eval(functional, rho_set, deriv_set, order)

...

Arguments:
INTEGER,
INTENT(in)
:: functional ...
POINTER
:: rho_set ...
POINTER
:: deriv_set ...
INTEGER,
INTENT(in)
:: order ...

SUBROUTINEke_gga_lsd_eval(functional, rho_set, deriv_set, order)

...

Arguments:
INTEGER,
INTENT(in)
:: functional ...
POINTER
:: rho_set ...
POINTER
:: deriv_set ...
INTEGER,
INTENT(in),
OPTIONAL
:: order ...