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
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)