000000-silicon¶
This folder contains calculations related to silicon. The calculations are organized in subdirectories according to their stages:
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00-relaxation: Structure relaxation calculations.
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01-DFT: Density Functional Theory calculations.
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02-HSE: Hybrid functional calculations.
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03-post-DFT: Post-processing of DFT results.
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common: Shared scripts or input files for silicon-related calculations.