mirror of https://gitlab.com/QEF/q-e.git
11 lines
526 B
Markdown
11 lines
526 B
Markdown
# Description
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This example show how to use pw.x and kcw.x to compute the
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electronic structure of FCC Silicon. As a reference the band
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structure at the LDA level is first computed in 0_dft.
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The entire KI calculation is split down into three steps:
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* 1_init: Contains the inputs for the initial DFT calculation and for the interface with the KCW code
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* 2_screening: Contains the input for the calculation of the KI screening coefficients (on a coarse k-mesh)
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* 3_hamiltonian: Contains the inputs for the final KI calculation
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