https://institute.loni.org/dft2011/documents/NarasimhanLec2.pdf
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- 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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