Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] adfl_v2_2.tar.gz(363 Kbytes)|
|Manuscript Title: Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VI) HFODD (v2.40h): a new version of the program.|
|Authors: J. Dobaczewski, W. Satula, B.G. Carlsson, J. Engel, P. Olbratowski, P. Powalowski, M. Sadziak, J. Sarich, N. Schunck, A. Staszczak, M. Stoitsov, M. Zalewski, H. Zdunczuk|
|Program title: HFODD (v2.40h)|
|Catalogue identifier: ADFL_v2_2|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 180(2009)2361|
|Programming language: FORTRAN-77 and Fortran-90.|
|Computer: Pentium-III, AMD-Athlon, AMD-Opteron.|
|Operating system: UNIX, LINUX, Windows XP.|
|Has the code been vectorised or parallelized?: Yes, vectorised|
|RAM: 10 Mwords|
|Word size: 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.|
|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, Point symmetries, Yukawa interaction, Angular-momentum projection, Generator Coordinate Method, Schiff moments.|
|PACS: 07.05.T, 21.60.-n, 21.60.Jz.|
External routines: Lapack (http://www.netlib.org/lapack/), Blas (http://www.netlib.org), linpack (http://www.netlib/linpack/)
Does the new version supersede the previous version?: Yes
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. 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. 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.
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 .
Summary of revisions:
The main restriction is the CPU time required for calculations of heavy deformed nuclei and for a given precision required.
The user must have access to
The LAPACK and LINPACK subroutines and an unoptimized version of the BLAS can be obtained from the Netlib Repository at the University of Tennessee, Knoxville: http://www.netlib.org/.
One Hartree-Fock iteration for the superdeformed, rotating, parity conserving state of 15266Dy86 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 0.1 keV. In the case where every value of the angular velocity is converged separately, the complete superdeformed band with precisely determined dynamical moments J(2) can be obtained in forty minutes of CPU time 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.
|||J. Dobaczewski and J. Dudek, Comput. Phys. Commun. 102(1997) 166.|
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