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Results tagged with pseudopotentials
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Refers to the approximation of core electrons by effective potentials. Used in plane-wave and Gaussian based theories.
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Norm-Conserving or Ultrasoft, which pseudopotential to choose?
Ultrasoft pseudopotential (USPP), in general, requires a lower energy-cutoff to the plane waves when compared to Norm-Conserving ones (NC). On the other hand (at least with Quantum ESPRESSO) the charg …
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