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000000-silicon

This folder contains calculations related to silicon. The calculations are organized in subdirectories according to their stages:

  • 00-relaxation: Structure relaxation calculations.

  • 01-DFT: Density Functional Theory calculations.

  • 02-HSE: Hybrid functional calculations.

  • 03-post-DFT: Post-processing of DFT results.

  • common: Shared scripts or input files for silicon-related calculations.