Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] adui_v2_0.tar.gz(2609 Kbytes)|
|Manuscript Title: Axially deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator basis |
(II) HFBTHO v2.00d: a new version of the program.
|Authors: M.V. Stoitsov, N. Schunck, M. Kortelainen, N. Michel, H. Nam, E. Olsen, J. Sarich, S. Wild|
|Program title: HFBTHO v2.00d|
|Catalogue identifier: ADUI_v2_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 184(2013)1592|
|Programming language: FORTRAN-95.|
|Computer: Intel Pentium-III, Intel Xeon, AMD-Athlon, AMD-Opteron, Cray XT5, Cray XE6.|
|Operating system: UNIX, LINUX, WindowsXP.|
|RAM: 200 Mwords|
|Word size: 8 bits|
|Keywords: Hartree-Fock, Hartree-Fock-Bogolyubov, Nuclear many-body problem, Skyrme interaction, Self-consistent mean field, Density functional theory, Generalized energy density functional, Nuclear matter, Quadrupole deformation, Octupole deformation, Constrained calculations, Potential energy surface, Pairing, Particle number projection, Nuclear radii, Quasiparticle spectra, Harmonic oscillator, Coulomb field, Transformed harmonic oscillator, Finite temperature, Shared memory parallelism.|
|PACS: 07.05.T, 21.60.-n, 21.60.Jz.|
Does the new version supersede the previous version?: Yes
Nature of problem:
The solution of self-consistent mean-field equations for weakly-bound paired nuclei requires a correct description of the asymptotic properties of nuclear quasiparticle wave functions. In the present implementation, this is achieved by using the single-particle wave functions of the transformed harmonic oscillator, which allows for an accurate description of deformation effects and pairing correlations in nuclei arbitrarily close to the particle drip lines.
The program uses the axial Transformed Harmonic Oscillator (THO) single-particle basis to expand quasiparticle wave functions. It iteratively diagonalizes the Hartree-Fock-Bogolyubov Hamiltonian based on generalized Skyrme-like energy densities and zero-range pairing interactions until a self-consistent solution is found. A previous version of the program was presented in: M.V. Stoitsov, J. Dobaczewski, W. Nazarewicz, P. Ring, Comput. Phys. Commun. 167 (2005) 43-63.
Reasons for new version:
Version 2.00d of HFBTHO provides a number of new options such as the optional breaking of reflection symmetry, the calculation of axial multipole moments, the finite temperature formalism for the HFB method, optimized multi-constraint calculations, the treatment of odd-even and odd-odd nuclei in the blocking approximation, and the framework for generalized energy density with arbitrary density-dependences. It is also the first version of HFBTHO to contain threading capabilities.
Summary of revisions:
Axial- and time-reversal symmetries are assumed.
The user must have access to
(i) the LAPACK subroutines DSYEVD, DSYTRF and DSYTRI, and their dependencies, which compute eigenvalues and eigenfunctions of real symmetric matrices,
(ii) the LAPACK subroutines DGETRI and DGETRF, which invert arbitrary real matrices, and
(iii) the BLAS routines DCOPY, DSCAL, DGEMM and DGEMV for double-precision linear algebra
(or provide another set of subroutines that can perform such tasks). The BLAS and LAPACK subroutines can be obtained from the Netlib Repository at the University of Tennessee, Knoxville: http://netlib2.cs.utk.edu/.
Highly variable, as it depends on the nucleus, size of the basis, requested accuracy, requested configuration, compiler and libraries, and hardware architecture. An order of magnitude would be a few seconds for ground-state configurations in small bases Nmax ≈ 8 - 12, to a few minutes in very deformed configuration of a heavy nucleus with a large basis Nmax > 20.
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