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We describe the new version (v2.49t) of the code HFODD which solves thenuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB)problem by using the Cartesian deformed harmonic-oscillator basis. In the newversion, we have implemented the following physics features: (i) the isospinmixing and projection, (ii) the finite temperature formalism for the HFB andHF+BCS methods, (iii) the Lipkin translational energy correction method, (iv)the calculation of the shell correction. A number of specific numerical methodshave also been implemented in order to deal with large-scale multi-constraintcalculations and hardware limitations: (i) the two-basis method for the HFBmethod, (ii) the Augmented Lagrangian Method (ALM) for multi-constraintcalculations, (iii) the linear constraint method based on the approximation ofthe RPA matrix for multi-constraint calculations, (iv) an interface with theaxial and parity-conserving Skyrme-HFB code HFBTHO, (v) the mixing of the HF orHFB matrix elements instead of the HF fields. Special care has been paid tousing the code on massively parallel leadership class computers. For thispurpose, the following features are now available with this version: (i) theMessage Passing Interface (MPI) framework, (ii) scalable input data routines,(iii) multi-threading via OpenMP pragmas, (iv) parallel diagonalization of theHFB matrix in the simplex breaking case using the ScaLAPACK library. Finally,several little significant errors of the previous published version werecorrected.

computer physics communications

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