Scriptts and ToolsHow to do Convergence Tests of KPOINTS parameter using the PWTK package
Scriptts and ToolsHow to do Convergence Tests of ECUTOFF parameter using the PWTK package
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Atomic and Molecular CalculationsHow to calculate the Equilibrium Structure of a diatomic molecule
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Electronic CalculationsHow to calculate the Band Structure of Graphene
PsudopotentialsAn online application to look for the pseudopotential
Scriptts and ToolsHow to do the lattice parameter optimization using the PWTK package
- Scriptts and Tools
How to do Convergence Tests of KPOINTS parameter using the PWTK package
- Scriptts and Tools
How to do Convergence Tests of ECUTOFF parameter using the PWTK package
- Atomic and Molecular Calculations
How to calculate the Binding Energy of a diatomic molecule
- Atomic and Molecular Calculations
How to calculate the Equilibrium Structure of a diatomic molecule
My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
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