wyphan

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density-functional-theory

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What are some open-source all-electron DFT alternatives to Wien2K?

Dec 1, 2020

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What are some recent developments in density functional theory?

Dec 3, 2020

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Analytical expression for an atomic lattice "muffin-tin" potential for purposes of illustration and simple scattering calculations

Dec 3, 2020

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Since MKL is not optimized for AMD hardware, should I use a math library specific to AMD, or would an open-source one be just as good?

Dec 1, 2020

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How to derive the effective Hamiltonian of two-dimensional TMDCs monolayers?

Nov 30, 2020

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