Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) HFODD (v2.49t): A new version of the program

We describe the new version (v2.49t) of the code HFODD which solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB) problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented the following physics features: (i) the isospin...

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Vydáno v:Computer physics communications Ročník 183; číslo 1
Hlavní autoři: Schunck, Nicolas F, McDonnell, J, Sheikh, J A, Staszczak, A, Stoitsov, Mario, Dobaczewski, J, Toivanen, P
Médium: Journal Article
Jazyk:angličtina
Vydáno: United States 01.01.2012
Témata:
ANGULAR MOMENTUM
APPROXIMATIONS
COMPUTERS
ISOSPIN
LAGRANGIAN FUNCTION
MATRIX ELEMENTS
PHYSICS
PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
PROGRAMMING
ISSN:0010-4655, 1879-2944
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Shrnutí:We describe the new version (v2.49t) of the code HFODD which solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB) problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented the following physics features: (i) the isospin mixing and projection, (ii) the finite temperature formalism for the HFB and HF+BCS methods, (iii) the Lipkin translational energy correction method, (iv) the calculation of the shell correction. A number of specific numerical methods have also been implemented in order to deal with large-scale multi-constraint calculations and hardware limitations: (i) the two-basis method for the HFB method, (ii) the Augmented Lagrangian Method (ALM) for multi-constraint calculations, (iii) the linear constraint method based on the approximation of the RPA matrix for multi-constraint calculations, (iv) an interface with the axial and parity-conserving Skyrme-HFB code HFBTHO, (v) the mixing of the HF or HFB matrix elements instead of the HF fields. Special care has been paid to using the code on massively parallel leadership class computers. For this purpose, the following features are now available with this version: (i) the Message Passing Interface (MPI) framework, (ii) scalable input data routines, (iii) multi-threading via OpenMP pragmas, (iv) parallel diagonalization of the HFB matrix in the simplex breaking case using the ScaLAPACK library. Finally, several little significant errors of the previous published version were corrected.
Bibliografie:DE-AC05-00OR22725
USDOE Office of Science (SC)
ISSN:0010-4655
1879-2944
DOI:10.1016/j.cpc.2011.08.013