Computer Physics Communications Program Library

Programs in Physics & Physical Chemistry

PROGRAM SUMMARY

Manuscript Title: Solution of the Skyrme HF+BCS equation on a 3D mesh
Authors: P. Bonche, H. Flocard, P.H. Heenen
Program title: EV8
Catalogue identifier: ADWA
Journal reference: Comput. Phys. Commun. 171(2005)49
Programming language: FORTRAN-90.
Computer: HP-RX4640, Compaq-Digital Alpha GS140, has run on several other platforms.
Operating system: UNIX, LINUX.
RAM: depends on problem; example given requires 60MB
Keywords: Hartree-Fock, BCS, Skyrme functional, Self-consistent mean-field, Nuclear deformation, Superheavy nuclei, Quadrupole deformation, 3D cartesian mesh hline.
PACS: 21.60J, 21.10Pc, 21.10Dr, 21.10Ft.
Classification: 17.22.
Nature of problem: By means of the Hartree-Fock plus BCS method using Skyrme type functionals, ev8 allows a study of the evolution of the binding energy of even-even nuclei for various shapes determined by the most general quadrupole constraint.
Solution method: The program expands the single-particle wave-functions on a 3D cartesian mesh. The non linear mean-field equations are solved by the imaginary time step method. A quadratic constraint is used to obtain states corresponding to given values of the quadrupole tensor.
Restrictions: The pairing correlations being included with the BCS method, a physically correct solution must not have any occupied single particle state in the continuum. This requires the Fermi energy of both nucleon species to be negative and their absolute value to be typically larger than twice the pairing gap.
Running time: For the test case, which starts from Nilsson wave- functions, a deformed configuration of ⁸⁴Zτ is obtained with an accuracy better than 0.1 keV in 157 s on a HP-RX4640 . Starting from this solution, other deformed configurations are obtained in less than 1 minute.