supercell

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Channel Version Published

Disordered crystal structures transformation software.

A a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals. It uses supercell approximation and enumeration algorithm to convert structures with vacancies and/or substitution to "binary" occupied. The program mostly uses to prepare DFT calculations of battery matrials, semiconductors etc.

Details for supercell

License
  • GPL-2.0

Last updated
  • 27 February 2024 - latest/stable
  • 27 February 2024 - latest/stable

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Where people are using supercell

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Ubuntu 22.04
Ubuntu 20.04
Ubuntu 18.04

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