Programs in Physics & Physical Chemistry
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|Manuscript Title: Solution of the Skyrme-Hartree-Fock equations in the Cartesian deformed harmonic oscillator basis. (II) the program HFODD. See also Comp. Phys. Commun. 102(1997)166.|
|Authors: J. Dobaczewski, J. Dudek|
|Program title: HFODD (v1.60r)|
|Catalogue identifier: ADFL_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 102(1997)183|
|Programming language: Fortran.|
|Computer: CRAY C-90, SG Power Challenge L, IBM RS/6000.|
|Operating system: UNIX, UNICOS, IRIX, AIX.|
|RAM: 10M words|
|Word size: 64|
|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.|
Nature of 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. This allows an effective and fast solution of the self-consistent Hartree-Fock equations even for heavy nuclei and for different configurations, deformations, excitation energies, or angular momenta.
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 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.
The user must have access to the NAGLIB subroutine F02AXE or to the ESSL subroutine ZHPEV which diagonalize complex hermitian matrices, or provide another subroutine which can perform such a task. 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.
One Hartree-Fock iteration for the superdeformed, rotating, parity conserving state of 152 66 Dy86 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 0.1 keV. 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 two to three hours of CPU on the SG Power Challenge L or IBM RS/6000 computers. 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.
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