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@gcmt-group

Grau-Crespo's Materials Theory Group

Dr Ricardo Grau-Crespo's Materials Theory group at the University of Reading, UK

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  1. sod sod Public

    Site-Occupation Disorder

    Fortran 35 24

  2. BaderMerge BaderMerge Public

    Python 1

  3. SuperCharge SuperCharge Public

    Python code to create SuperCell including charge density CHGCAR and atom position POSCAR from a unit cell using Bader.

    Python 1

  4. gcmt-group.github.io gcmt-group.github.io Public

    HTML

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  • sod Public

    Site-Occupation Disorder

    gcmt-group/sod’s past year of commit activity
    Fortran 35 GPL-3.0 24 0 0 Updated Oct 26, 2023
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    HTML 0 0 0 0 Updated Feb 7, 2022
  • SuperCharge Public

    Python code to create SuperCell including charge density CHGCAR and atom position POSCAR from a unit cell using Bader.

    gcmt-group/SuperCharge’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Mar 25, 2019
  • gcmt-group/BaderMerge’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Feb 2, 2019

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