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Results tagged with pseudopotentials
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user 5351
Refers to the approximation of core electrons by effective potentials. Used in plane-wave and Gaussian based theories.
7
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1
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Understanding Illustration for Pseudopotential
I am new to solid state calculation. When I was reading about the pseudopotential documents, I always ran into a diagram that shows how pseudopotential will help to smooth the all-electron wavefunctio …
- 241
6
votes
1
answer
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Scalar relativistic Calculation for pseudopotential
I am new to solid state calculation. I have a question about the pseudopotential in terms of the relativistic effect. In solid-state calculations, ultrasoft pseudopotential using PBE functionals are w …
- 241