Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] adwa_v2_0.tar.gz(229 Kbytes)|
|Manuscript Title: Solution of the Skyrme HF+BCS equation on a 3D mesh II. A new version of the Ev8 code.|
|Authors: W. Ryssens, V. Hellemans, M. Bender, P.-H. Heenen|
|Program title: Ev8|
|Catalogue identifier: ADWA_v2_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 187(2015)175|
|Programming language: FORTRAN-90.|
|Computer: AMD Opteron 6274, AMD Opteron 6134, AMD Opteron 2378, Intel Core i7-4700HQ.|
|Operating system: Unix, Linux, OS X.|
|RAM: On the order of 64 megabytes for the examples provided.|
|Keywords: Self-consistent mean field, Hartree-Fock, Hartree-Fock+BCS, Skyrme interaction, Quadrupole deformation.|
Does the new version supersede the previous version?: Yes, but when used in the same conditions both codes give the same result.
Nature of problem:
By means of the Hartree-Fock + BCS method for Skyrme-type energy density functionals, Ev8 allows the study of the evolution of the binding energy of even-even atomic nuclei for various shapes determined by the most general quadrupole and monopole constraints.
The program expands the single-particle wave-functions on a 3D Cartesian mesh. The nonlinear 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 monopole and quadrupole operators.
Reasons for new version:
The code has been generalized in several directions. The main changes concern the energy density functional that is more general than previously (including now tensor terms) and the accuracy of the final result that has been significantly improved by a new algorithm to determine the Coulomb potential. Several other changes should make the code more user friendly than it was before.
Summary of revisions:
1. Skyrme energy functionals with tensor terms; 2. Improved accuracy for calculating derivatives; 3. Improved accuracy for solving Coulomb problem; 4. Improvement of the numerics of constraints;
Ev8 assumes time-reversal invariance and nuclear shapes exhibiting three plane-reflection symmetries. Pairing correlations are treated at the BCS level of approximation.
A few minutes for the examples provided, which concern rather heavy nuclei in modest boxes with an initial guess of Nilsson wavefunctions.
|Disclaimer | ScienceDirect | CPC Journal | CPC | QUB|