Leonardo Saraiva

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Questions related from Leonardo Saraiva

How can I solve the runtime error running phonopy-gruneisen?

I am calculating the gruneisen parameter for a structure with 28 atoms in a 1x1x1 supercell and 224 in a 2x2x2 supercell, and I am having some issues with phonopy. When I try to run the...

11 October 2023 2,035 2 View

How can I solve the runtime error running phonopy-gruneisen?

I am calculating the gruneisen parameter for a structure with 28 atoms in a 1x1x1 supercell and 224 in a 2x2x2 supercell, and I am having some issues with phonopy. When I try to run the...

29 August 2022 9,288 0 View