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- 12 How to "get my feet wet" in Density Functional Theory by simulating a water molecule using Python
- 12 What is the appropriate way of determining a value for the Hubbard-like potential U for LDA+U / GGA+U calculations?
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- 11 Quantum ESPRESSO vs VASP
- 11 Is the electronic band gap the only thing that is affected, when switching from standard KS-DFT to Hybrid functionals?
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