mirror of https://gitlab.com/QEF/q-e.git
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run_example |
README
This example shows how to use pw.x to calculate the total energy and the band structure of Silicon using hybrid HSE functional. Additional k-points along high-symmetry directions are included in the self-consistent calculation with zero weight, using the ADDITIONAL_K_POINTS card. The path is extracted from the results of bands.x using plotbands.x