项目作者: NabKh

项目描述 :
Density functional theory: Quantum Espresso & Projected Electronic Band Structure
高级语言: Python
项目地址: git://github.com/NabKh/DFT_Python-Tools.git
创建时间: 2021-02-02T01:18:56Z
项目社区:https://github.com/NabKh/DFT_Python-Tools

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DFT_Python_tools

Density functional theory : Quantum Espresso & Projected Electronic Band Structure

  • QuantumEspresso_proj:
    The projected electronic band structure from quantum espresso calculations,
    obtained after running ‘projwfc’ and reading the corresponding projected files (atomic and orbital contributions)