Solution of the Skyrme-Hartree–Fock–Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VIII) HFODD (v2.73y): A new version of the program
Abstract
Here, we describe the new version (v2.73y) of the code hfodd which solves the nuclear Skyrme Hartree–Fock or Skyrme Hartree–Fock–Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented the following new features: (i) full proton–neutron mixing in the particle–hole channel for Skyrme functionals, (ii) the Gogny force in both particle–hole and particle–particle channels, (iii) linear multi-constraint method at finite temperature, (iv) fission toolkit including the constraint on the number of particles in the neck between two fragments, calculation of the interaction energy between fragments, and calculation of the nuclear and Coulomb energy of each fragment, (v) the new version 200d of the code hfbtho, together with an enhanced interface between HFBTHO and HFODD, (vi) parallel capabilities, significantly extended by adding several restart options for large-scale jobs, (vii) the Lipkin translational energy correction method with pairing, (viii) higher-order Lipkin particle-number corrections, (ix) interface to a program plotting single-particle energies or Routhians, (x) strong-force isospin-symmetry-breaking terms, and (xi) the Augmented Lagrangian Method for calculations with 3D constraints on angular momentum and isospin. Finally, an important bug related to the calculation of the entropy at finite temperature and several other little significant errors of the previousmore »
- Authors:
-
[1];
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Univ. of York, York (United Kingdom); Univ. of Jyvaskyla (Finland); Univ. of Warsaw, Warsaw (Poland); Univ of Helsinki, Helsinki (Finland)
- Univ. of Warsaw, Warsaw (Poland); Univ of Helsinki, Helsinki (Finland)
- Univ. of Warsaw, Warsaw (Poland)
- Univ. de Strasbourg, Strasbourg (France); Marie Curie-Sklodowska Univ., Lublin (Poland)
- Univ. of Jyvaskyla (Finland)
- Osaka City Univ., Osaka (Japan)
- Univ. of Jyvaskyla (Finland); Michigan State Univ., East Lansing, MI (United States); Harbin Institute of Technology, Harbin (China)
- Univ. of Jyvaskyla (Finland); Huzhou Univ., Huzhou (China)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1378504
- Alternate Identifier(s):
- OSTI ID: 1396513
- Report Number(s):
- LLNL-JRNL-706417
Journal ID: ISSN 0010-4655; TRN: US1702219
- Grant/Contract Number:
- AC52-07NA27344; SC0008499; AC05-00OR22725; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Computer Physics Communications
- Additional Journal Information:
- Journal Volume: 216; Journal Issue: C; Journal ID: ISSN 0010-4655
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 73 NUCLEAR PHYSICS AND RADIATION PHYSICS; 97 MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; Nuclear density functional theory; Energy density functional theory; Self-consistent mean-field; Pairing correlations; Hartree–Fock–Bogolyubov; Skyrme interaction; Gogny force; Angular-momentum projection
Citation Formats
Schunck, N., Dobaczewski, J., Satuła, W., Baczyk, P., Dudek, J., Gao, Y., Konieczka, M., Sato, K., Shi, Y., Wang, X. B., and Werner, T. R. Solution of the Skyrme-Hartree–Fock–Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VIII) HFODD (v2.73y): A new version of the program. United States: N. p., 2017.
Web. doi:10.1016/j.cpc.2017.03.007.
Schunck, N., Dobaczewski, J., Satuła, W., Baczyk, P., Dudek, J., Gao, Y., Konieczka, M., Sato, K., Shi, Y., Wang, X. B., & Werner, T. R. Solution of the Skyrme-Hartree–Fock–Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VIII) HFODD (v2.73y): A new version of the program. United States. https://doi.org/10.1016/j.cpc.2017.03.007
Schunck, N., Dobaczewski, J., Satuła, W., Baczyk, P., Dudek, J., Gao, Y., Konieczka, M., Sato, K., Shi, Y., Wang, X. B., and Werner, T. R. Mon .
"Solution of the Skyrme-Hartree–Fock–Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VIII) HFODD (v2.73y): A new version of the program". United States. https://doi.org/10.1016/j.cpc.2017.03.007. https://www.osti.gov/servlets/purl/1378504.
@article{osti_1378504,
title = {Solution of the Skyrme-Hartree–Fock–Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VIII) HFODD (v2.73y): A new version of the program},
author = {Schunck, N. and Dobaczewski, J. and Satuła, W. and Baczyk, P. and Dudek, J. and Gao, Y. and Konieczka, M. and Sato, K. and Shi, Y. and Wang, X. B. and Werner, T. R.},
abstractNote = {Here, we describe the new version (v2.73y) of the code hfodd which solves the nuclear Skyrme Hartree–Fock or Skyrme Hartree–Fock–Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented the following new features: (i) full proton–neutron mixing in the particle–hole channel for Skyrme functionals, (ii) the Gogny force in both particle–hole and particle–particle channels, (iii) linear multi-constraint method at finite temperature, (iv) fission toolkit including the constraint on the number of particles in the neck between two fragments, calculation of the interaction energy between fragments, and calculation of the nuclear and Coulomb energy of each fragment, (v) the new version 200d of the code hfbtho, together with an enhanced interface between HFBTHO and HFODD, (vi) parallel capabilities, significantly extended by adding several restart options for large-scale jobs, (vii) the Lipkin translational energy correction method with pairing, (viii) higher-order Lipkin particle-number corrections, (ix) interface to a program plotting single-particle energies or Routhians, (x) strong-force isospin-symmetry-breaking terms, and (xi) the Augmented Lagrangian Method for calculations with 3D constraints on angular momentum and isospin. Finally, an important bug related to the calculation of the entropy at finite temperature and several other little significant errors of the previous published version were corrected.},
doi = {10.1016/j.cpc.2017.03.007},
journal = {Computer Physics Communications},
number = C,
volume = 216,
place = {United States},
year = {Mon Mar 27 00:00:00 EDT 2017},
month = {Mon Mar 27 00:00:00 EDT 2017}
}
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Works referencing / citing this record:
Mean field and beyond description of nuclear structure with the Gogny force: a review
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