J. Dobaczewski1 and
Institute of Theoretical Physics, Warsaw University ul. Hoza 69, PL-00681 Warsaw, Poland
Institut de Recherches Subatomiques, CNRS-INP/Université Louis Pasteur,
F-67037 Strasbourg Cedex 2, France
Department of Physics and Astronomy, The University of Tennessee,
Knoxville, Tennessee 37996, USA
Physics Division, Oak Ridge National Laboratory,
P.O. Box 2008, Oak Ridge, Tennessee 37831, USA
Title of the program: HFODD (v2.07f)
Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue)
Reference in CPC for earlier version of program: J. Dobaczewski and J. Dudek, Comput. Phys. Commun. 131 (2000) 164 (v1.75r).
Catalogue number of previous version: ADML
Licensing provisions: none
Does the new version supersede the previous one: yes
Computers on which the program has been tested: SG Power Challenge L, Pentium-II, Pentium-III, AMD-Athlon
Operating systems: UNIX, LINUX, Windows-2000
Programming language used: FORTRAN-77 and FORTRAN-90
Memory required to execute with typical data: 10 Mwords
No. of bits in a word: The code is written in single-precision for the use on a 64-bit processor. The compiler option -r8 or +autodblpad (or equivalent) has to be used to promote all real and complex single-precision floating-point items to double precision when the code is used on a 32-bit machine.
Has the code been vectorised?: Yes
No. of lines in distributed program: 43 308 (of which 19 386 are comments and separators)
Keywords: Hartree-Fock; Hartree-Fock-Bogolyubov; Skyrme interaction; Self-consistent mean-field; Nuclear many-body problem; Superdeformation; Quadrupole deformation; Octupole deformation; Pairing; Nuclear radii; Single-particle spectra; Nuclear rotation; High-spin states; Moments of inertia; Level crossings; Harmonic oscillator; Coulomb field; Pairing; Point symmetries
Nature of physical problem
The nuclear mean-field and an analysis of its symmetries in realistic cases are the main ingredients of a description of nuclear states. Within the Local Density Approximation, or for a zero-range velocity-dependent Skyrme interaction, the nuclear mean-field is local and velocity dependent. The locality allows for an effective and fast solution of the self-consistent Hartree-Fock equations, even for heavy nuclei, and for various nucleonic (-particle -hole) configurations, deformations, excitation energies, or angular momenta. Similar Local Density Approximation in the particle-particle channel, which is equivalent to using a zero-range interaction, allows for a simple implementation of pairing effects within the Hartree-Fock-Bogolyubov method.
Method of solution
The program uses the Cartesian harmonic oscillator basis to expand single-particle or single-quasiparticle wave functions of neutrons and protons interacting by means of the Skyrme effective interaction and zero-range pairing interaction. The expansion coefficients are determined by the iterative diagonalization of the mean field Hamiltonians or Routhians which depend non-linearly on the local neutron and proton densities. Suitable constraints are used to obtain states corresponding to a given configuration, deformation or angular momentum. The method of solution has been presented in: J. Dobaczewski and J. Dudek, Comput. Phys. Commun. 102 (1997) 166.
Summary of revisions
Restrictions on the complexity of the problem
The main restriction is the CPU time required for calculations of heavy deformed nuclei and for a given precision required. Pairing correlations are only included for even-even nuclei and conserved simplex symmetry.
Typical running time
One Hartree-Fock iteration for the superdeformed, rotating, parity conserving state of Dy takes about six seconds on the AMD-Athlon 1600+ processor. Starting from the Woods-Saxon wave functions, about fifty iterations are required to obtain the energy converged within the precision of about 0.1keV. In case when every value of the angular velocity is converged separately, the complete superdeformed band with precisely determined dynamical moments can be obtained within within forty minutes of CPU on the AMD-Athlon 1600+ processor. This time can be often reduced by a factor of three when a self-consistent solution for a given rotational frequency is used as a starting point for a neighboring rotational frequency.
Unusual features of the program
The user must have an access to the NAGLIB subroutine F02AXE,
or to the LAPACK subroutines ZHPEV or ZHPEVX, which
diagonalize complex hermitian matrices, or provide another
subroutine which can perform such a task.
The LAPACK subroutines ZHPEV and ZHPEVX can be obtained from the Netlib
Repository at University of Tennessee, Knoxville: