- Delft, The Netherlands
- https://sustai-nabil.net/
- @na_khossossi
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Quantum_Espresso_Tutorials
Quantum_Espresso_Tutorials PublicThe tutorials below show how to compute the optimizations, electronic band structure and vibrational modes of bulk MoS2 using Quantum Espresso.
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DFT_Python-Tools
DFT_Python-Tools PublicDensity functional theory: Quantum Espresso & Projected Electronic Band Structure
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VASP-Tools
VASP-Tools Public templateVASP-Tools is a collection of Python scripts designed to streamline various tasks related to the Vienna Ab initio Simulation Package (VASP). These tools are intended for researchers and engineers wβ¦
Python 2
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Basin_Hopping-QE
Basin_Hopping-QE PublicBasin-Hopping Monte Carlo (BHMC) algorithm coupled with density functional theory (Quantum espresso) package for unbiased global optimization of clusters and nanoparticles
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VASP-Python-Stress-Tensor-Relaxation
VASP-Python-Stress-Tensor-Relaxation PublicPython script for structure optimization under a specific stress tensor using VASP
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