- Delft, The Netherlands
- https://sustai-nabil.com/
- @na_khossossi
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DFT_Python-Tools
DFT_Python-Tools PublicDensity functional theory: Quantum Espresso & Projected Electronic Band Structure
Python 2
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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.
Gnuplot 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_Tutorial
VASP_Tutorial PublicElectronic properties of materials based on the generalized gradient approximation (GGA-PBE) and hybrid exchangeβcorrelation functional (HSE06).
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