Solution of the SkyrmeHartree–Fock–Bogolyubov equations in the Cartesian deformed harmonicoscillator basis. (VIII) HFODD (v2.73y): A new version of the program
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 harmonicoscillator 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 multiconstraint 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 largescale jobs, (vii) the Lipkin translational energy correction method with pairing, (viii) higherorder Lipkin particlenumber corrections, (ix) interface to a program plotting singleparticle energies or Routhians, (x) strongforce isospinsymmetrybreaking 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:

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 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 CurieSklodowska 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:
 Report Number(s):
 LLNLJRNL706417
Journal ID: ISSN 00104655; TRN: US1702219
 Grant/Contract Number:
 AC5207NA27344
 Type:
 Accepted Manuscript
 Journal Name:
 Computer Physics Communications
 Additional Journal Information:
 Journal Volume: 216; Journal Issue: C; Journal ID: ISSN 00104655
 Publisher:
 Elsevier
 Research Org:
 Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
 Sponsoring Org:
 USDOE
 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; Selfconsistent meanfield; Pairing correlations; Hartree–Fock–Bogolyubov; Skyrme interaction; Gogny force; Angularmomentum projection
 OSTI Identifier:
 1378504
 Alternate Identifier(s):
 OSTI ID: 1396513
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 SkyrmeHartree–Fock–Bogolyubov equations in the Cartesian deformed harmonicoscillator basis. (VIII) HFODD (v2.73y): A new version of the program. United States: N. p.,
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 SkyrmeHartree–Fock–Bogolyubov equations in the Cartesian deformed harmonicoscillator basis. (VIII) HFODD (v2.73y): A new version of the program. United States. 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., and Werner, T. R.. 2017.
"Solution of the SkyrmeHartree–Fock–Bogolyubov equations in the Cartesian deformed harmonicoscillator basis. (VIII) HFODD (v2.73y): A new version of the program". United States.
doi:10.1016/j.cpc.2017.03.007. https://www.osti.gov/servlets/purl/1378504.
@article{osti_1378504,
title = {Solution of the SkyrmeHartree–Fock–Bogolyubov equations in the Cartesian deformed harmonicoscillator 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 harmonicoscillator 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 multiconstraint 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 largescale jobs, (vii) the Lipkin translational energy correction method with pairing, (viii) higherorder Lipkin particlenumber corrections, (ix) interface to a program plotting singleparticle energies or Routhians, (x) strongforce isospinsymmetrybreaking 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 = {2017},
month = {3}
}