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References and how to cite |
The SSCHA program is described in details in the following publication:
- The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects. Lorenzo Monacelli, Raffaello Bianco, Marco Cherubini, Matteo Calandra, Ion Errea, and Francesco Mauri. Journal of Physics: Condensed Matter 33, 363001 (2021).
If you use any part of the SSCHA code, you should cite it in your publications.
As the theory of the SSCHA work has been previously published, we would also kindly ask you to cite the following papers that develop the SSHCA theory in all works making use of it:
- First-Principles Theory of Anharmonicity and the Inverse Isotope Effect in Superconducting Palladium-Hydride Compounds. Ion Errea, Matteo Calandra, and Francesco Mauri. Physical Review Letters 111, 177002 (2013).
- Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides. Ion Errea, Matteo Calandra, and Francesco Mauri. Physical Review B 89, 064302 (2014).
- Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation. Raffaello Bianco, Ion Errea, Lorenzo Paulatto, Matteo Calandra, and Francesco Mauri. Physical Review B 96, 014111 (2017).
- Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation. Lorenzo Monacelli, Ion Errea, Matteo Calandra, and Francesco Mauri. Physical Review B 97, 214101 (2018).
If you are using the SSCHA thernal conductivity features you should cite the following paper:
- Lattice thermal conductivity in the anharmonic overdamped regime. Đorđe Dangić, Giovanni Caldarelli, Raffaello Bianco, Ivana Savić and Ion Errea. Physical Review B 111, 104314 (2025).