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

Schunck, N.; Dobaczewski, J.; Satuła, W.; Baczyk, P.; Dudek, J.; Gao, Y.; Konieczka, M.; Sato, K.; Shi, Y.; Wang, X. B.; Werner, T. R.

doi:10.1016/j.cpc.2017.03.007

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

Journal Article · Mon Mar 27 00:00:00 EDT 2017 · Computer Physics Communications

DOI:https://doi.org/10.1016/j.cpc.2017.03.007· OSTI ID:1378504

^[1]; Dobaczewski, J. ^[2]; Satuła, W. ^[3]; Baczyk, P. ^[4]; Dudek, J. ^[5]; Gao, Y. ^[6]; Konieczka, M. ^[4]; Sato, K. ^[7]; Shi, Y. ^[8]; Wang, X. B. ^[9]; Werner, T. R. ^[4]

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)

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.

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Research Organization:: 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 Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC52-07NA27344; SC0008499; AC05-00OR22725; AC02-05CH11231

OSTI ID:: 1378504

Alternate ID(s):: OSTI ID: 1396513

Report Number(s):: LLNL-JRNL-706417; TRN: US1702219

Journal Information:: Computer Physics Communications, Vol. 216, Issue C; ISSN 0010-4655

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 42 works

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References (34)

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Cited By (7)

Mean field and beyond description of nuclear structure with the Gogny force: a review Robledo, L. M.; Rodríguez, T. R.; Rodríguez-Guzmán, R. R. Journal of Physics G: Nuclear and Particle Physics, Vol. 46, Issue 1 https://doi.org/10.1088/1361-6471/aadebd	journal	December 2018
Isobaric multiplet mass equation within nuclear density functional theory Bączyk, P.; Satuła, W.; Dobaczewski, J. Journal of Physics G: Nuclear and Particle Physics, Vol. 46, Issue 3 https://doi.org/10.1088/1361-6471/aaffe4	journal	January 2019
Correlating Schiff Moments in the Light Actinides with Octupole Moments Dobaczewski, Jacek; Engel, Jonathan; Kortelainen, Markus Physical Review Letters, Vol. 121, Issue 23 https://doi.org/10.1103/physrevlett.121.232501	journal	December 2018
Mean field and beyond description of nuclear structure with the Gogny force: A review Robledo, L. M.; Rodríguez, T. R.; Rodríguez-Guzmán, R. R. arXiv https://doi.org/10.48550/arxiv.1807.02518	text	January 2018
A Bayesian analysis of nuclear deformation properties with Skyrme energy functionals Schunck, N.; Quinlan, K. R.; Bernstein, J. Journal of Physics G: Nuclear and Particle Physics, Vol. 47, Issue 10 https://doi.org/10.1088/1361-6471/aba4fa	journal	September 2020
Framework for Polarized Superfluid Fermion Systems Bulgac, Aurel arXiv https://doi.org/10.48550/arxiv.2005.06763	preprint	January 2020
Microscopic Calculation of Fission Product Yields with Particle Number Projection Verriere, Marc; Regnier, David; Schunck, Nicolas arXiv https://doi.org/10.48550/arxiv.2102.02346	text	January 2021

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73 NUCLEAR PHYSICS AND RADIATION PHYSICS
97 MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
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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

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