PROGRAM SUMMARY
Title of program:
HFODD (v1.75r)
Catalogue identifier:
ADML
Ref. in CPC:
131(2000)164
Distribution format: tar gzip file
Operating system: UNIX, UNICOS, IRIX, AIX, LINUX
High speed store required:
10MK words
Number of bits in a word:
64
Number of lines in distributed program, including test data, etc:
25804
Keywords:
Nuclear physics, Hartree-Fock, 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, Point symmetries.
Programming language used: Fortran
Computer:
CRAY C-90 ,
SG Power Challenge L ,
IBM RS/6000 ,
Pentium-II ,
Athlon .
Other versions of this program:
Cat. Id. Title Ref. in CPC ADFL HFODD (v1.60r) 102(1997)183
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 (n-particle n-hole) configurations,
deformations, excitation energies, or angular momenta.
Method of solution
The program uses the Cartesian harmonic oscillator basis to expand
single-particle wave functions of neutrons and protons interacting by
means of the Skyrme effective interaction. The expansion coefficients
are determined by the iterative diagonalization of the mean field
Hamiltonians or Routhians which depend nonlinearly 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, 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. One symmetry plane
is assumed. Pairing correlations are only included in the BCS limit and
for the conserved time-reversal symmetry (i.e. for non-rotating states
in even-even nuclei).
Typical running time
One Hartree-Fock iteration for the superdeformed, rotating, parity
conserving state of 152 66Dy86 takes about nine seconds on the CRAY C-90
computer. 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 J(2) can be obtained within one
hour of CPU on the CRAY C-90, or within three hours of CPU on the
Athlon-550 MHz 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 neighbouring rotational frequency.
Unusual features of the program
The user must have access to the NAGLIB subroutine F02AXE or to the ESSL
or LAPACK subroutine ZHPEV which diagonalize complex hermitian matrices,
or provide another subroutine which can perform such a task. The
LAPACK subroutine ZHPEV can be obtained from the Netlib Repository at
University of Tennessee, Knoxville:
http://netlib2.cs.utk.edu/cgi-bin/netlibfiles.pl?filename=/lapack/comple
x16/zhpev.f
The code is written in single-precision for 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.