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Questions related from Cameron C. L. Underwood
Hi, I am able to calculate the phonon band structure, using VASP and harmonic force constants generated by Phonopy. But I would like to calculate this at a given temperature, for example 300K,...
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Hi, I have integrated the total DOS of a system up to the Fermi Energy and got the expected valence electrons. But when integrating the Partial DOS (PDOS) for each atom and summing these, the...
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