General Structure of the Code

The code runs, in sequence, the set of main subroutines listed in Table 1. If multiple runs are requested in a single input data file, the code always repeats the whole sequence of calls from the beginning to end, including an initialization of all variables and data.

Table 1: List of main subroutines constituting the code HFBTHO (v1.66p)

Subroutine

Task

DEFAULT

Initializes all variables (initially, or after the previous run).

READ INPUT

Reads parameters from the input data file tho.dat.

PREPARER

Initializes variables according to the user's request defined in the input data file.

BASE0

Determines the HO configurational space and dimensions of allocatable arrays.

THOALLOC

Allocates memory required for the given run of the code.

BASE

Calculates and stores properties of the configurational space and all associated quantum numbers.

GAUPOL

Calculates and stores the HO basis wave functions.

INOUT

Sets or reads (optional) initial densities, fields, and matrix elements.

ITER

Main iteration loop for the HFB+HO calculation, which is repeated until convergence is met. It includes the following subroutines:

	DENSIT	Calculates densities in coordinate space.
	FIELD	Calculates mean fields in coordinate space.
	GAMDEL	Calculates the particle-hole and pairing Hamiltonian matrices.
	EXPECT	Calculates average values of observables.
	HFBDIAG	Diagonalizes the HFB equation.

F01234

After the HFB+HO solution is found, calculates the THO basis wave functions, which replace the HO ones.

ITER

Main iteration loop for the HFB+THO calculation, which is repeated until convergence is met. The same subroutine and sequence of calls is used as above.

RESU

Calculates all required physical characteristics and canonical basis properties, and performs the particle number projection.

INOUT

Records the final densities, fields, and matrix elements for feature use (optional).