Name: density functional theory 2 - basis set size and k-mesh - compmatphys
Uploaded: 2022-09-11T10:05:01+00:00
Description: What’s the meaning of “basis set size”?

Computational Materials Physics let’s play! density functional theory 2 – basis set size and k-mesh

What’s the meaning of “basis set size”?

What’s the meaning of “k-mesh” or “Brillouin zone sampling”?

Here is how you identify basis set size, k-mesh and choice of the exchange-correlation functional in your favourite DFT code:

XC-functional, basis set size and k-mesh in the Quantum Espresso input file.
<other codes will be added>

Here is how you identify basis set size, k-mesh and choice of the exchange-correlation functional in your favourite DFT code:

XC-functional, basis set size and k-mesh in the Quantum Espresso input file.
<other codes will be added>

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