Difference between revisions of "Density Functional Theory"
From William Parker Wiki
(Started parameter convergence table) |
(No difference)
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Revision as of 14:19, 15 September 2022
Parameters to Converge
| Parameter | QE Input File Name |
|---|---|
| Basis function cutoff | ecutwfc |
| K-point mesh | first three numbers under K_POINTS |
