Description of the individual software components

The code HOSPHE (v1.00) is separated into different files with each file containing a module. Modules may contain module parameters and collections of subroutines and functions. Below follows a list of the files defining the code where the *'s should be replaced by the latest version number.

The modules which are used mainly in the initialization phase are:

• hfmain_dist.v*.f90

  Driver routine which reads the input and calls the hf subroutine.

• hfmain_Parameters.v*.f90

  Allocates parameters used as input to hf.

• qnotra.v*.o

  Defines quantum numbers for basis states and quantum numbers for the reduced density matrix.

• skyrme.v*.f90

  Contains coupling-constant sets for various standard Skyrme EDF's

• coupling.v*.f90

  Assigns quantum numbers to the coupling constants.

• TypeDefinitions.v*.f90

  Contains list of the allowed quantum numbers for the derivative operators, local densities, and derivative densities.

• RecoupKlist.v*.f90

  Contains one subroutine which reorders the list of $K$ coefficients.

• RecoupDK.v*.f90

  Contains values and quantum numbers of the $D$ and $K$ coefficients.

• RecoupA.v*.f90

  Contains values and quantum numbers of the $A$ coefficients which are used to recouple derivative densities.

• F2U.v*.f90

  Contains the $F2U$ coefficients. These are used to obtain fields for each term in the functional and are almost the same (see Table 7) as the $\chi$ coefficients in Eq. (8).

• Ho_Derivatives.v*.f90

  Contains routines to calculate derivatives of the HO basis functions.

• grid.v*.f90

  Generates Gauss-Hermite points and weights.

The modules which are used mainly in the iteration loop are:

• hf.v*.f90

  The main subroutine containing the iteration loop.

• Derivative_densities.v*.f90

  Generates the reduced derivative densities as functions of the grid points given a reduced density matrix as input.

• hmatrix_Ud.v*.f90

  Determines the matrix elements by using for the fields the form in Eq. (7). Calculates the reduced matrix elements given reduced densities and reduced matrix element quantum numbers as input. Also calculates the matrix elements of the density-dependent terms and of the Coulomb interaction.

• matrix.v*.f90

  Determines the matrix elements by using for the fields the form in Eq. (60). Calculates reduced matrix elements given reduced densities and reduced matrix element quantum numbers as input. Used mainly to test the accuracy of the matrix elements from hmatrix_Ud.v*.f90.

• density_energy.v*.f90

  Calculates integrals by using the Gauss-Hermite integration. Contains subroutines to calculate integrals over the terms in the functional to obtain the energy. Also calculates Coulomb energy integrals and radii.

• coulomb.v*.f90

  Calculates Coulomb direct and exchange matrix elements. Used mainly to test the accuracy of the matrix elements from hmatrix_Ud.v*.f90.

• densitydep.v*.f90

  Contains density-dependent factors that multiply each density-dependent coupling constants in the mean field potentials.

There are also modules containing helper routines:

• sorting.v*.f90

  Contains routines used to sort data.

• geometric.v*.f90

  Contains a collection of routines for the Clebsh-Gordon coefficients, 3, 6, and 9$j$ symbols, Gamma functions etc.

• mflib.v*.f90

  Contains a collection of auxiliary routines such as the diagonalization routines and various transformations.