Title: Axially deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator basis (II) HFBTHO v2.00d: a new version of the program
Authors: Mario Stoitsov, Nicolas Schunck, Markus Kortelainen, Nicolas Michel, Hai Ah Nam, Erik Olsen, Jason Sarich, Stefan Wild
Abstract: We describe the new version 2.00d of the code HFBTHO that solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB) problem by using the cylindrical transformed deformed harmonic-oscillator basis. In the new version, we have implemented the following features: (i) the modified Broyden method for non-linear problems, (ii) optional breaking of reflection symmetry, (iii) calculation of axial multipole moments, (iv) finite temperature formalism for the HFB method, (v) linear constraint method based on the approximation of the Random Phase Approximation (RPA) matrix for multi-constraint calculations, (vi) blocking of quasi-particles in the Equal Filling Approximation (EFA), (vii) framework for generalized energy density with arbitrary density-dependences, and (viii) shared memory parallelism via OpenMP pragmas.
Keywords: X
Thanks: This work was supported in part by the the Academy of Finland under the Centre of Excellence Programme 2012–2017 (Nuclear and Accelerator Based Physics Programme at JYFL) and FIDIPRO programme, the U.S. Department of Energy grant Nos. DE-FC02-09ER41583 (UNEDF SciDAC program), DE-FC02-07ER41457, DE-FG02-96ER40963 (University of Tennessee), and DE-AC02006CH11357 (Argonne National Laboratory). It was partly performed under the auspices of the US Department of Energy by the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (code release number: LLNL-CODE-573953, document release number: LLNL-JRNL-587360). Funding was also provided by the United States Department of Energy Office of Science, Nuclear Physics Program pursuant to Contract DE-AC52-07NA27344 Clause B-9999, Clause H-9999 and the American Recovery and Reinvestment Act, Pub. L. 111-5.
Computational resources were provided in part through an award of computer time provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program at the Oak Ridge Leadership Computing Facility, located in the Oak Ridge National Laboratory supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC05-00OR22725, as well as by the National Energy Research Scientific Computing Center supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We also acknowledge "Fusion", a 320-node cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory, and the CSC-IT Center for Science Ltd, Finland for the allocation of computational resources.
Status: Appears in Computer Physics Communications, Vol. 184 (6), pp. 1592-1604, June 2013.
Program hosted on CPC Program Library.
Formerly MCS Preprint ANL/MCS-P3043-1012.
Link:DOI: 10.1016/j.cpc.2013.01.013;
; arXiv
  author      = "M. V. Stoitsov and N. Schunck and M. Kortelainen and N. Michel
 		 and H. Nam and E. Olsen and J. Sarich and S. M. Wild",
  title       = "Axially deformed solution of the {Skyrme-Hartree-Fock-Bogolyubov} 
                 equations using the transformed harmonic oscillator basis 
                 {(II) HFBTHO} v2.00d: a new version of the program",
  journal     = "Computer Physics Communications",
  volume      = "184",
  number      = "6",
  pages       = "1592--1604",
  doi         = "10.1016/j.cpc.2013.01.013"
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