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D3 Correction in DFT (Christian Sandoval Pauker) View |
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RSPt tutorial 5: DFT+U (Recap of the theory) (RSPt video tutorials) View |
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How to calculate zero point energy and entropy for adsorbed molecule using VASP | ZPE and Entropy (DB Infotech) View |
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How to Perform DFT+U Calculations in VASP (DB Infotech) View |
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How to Use Mixed Basis Set in DFT Calculation and How to Freeze Atoms ||Gaurav Jhaa (Quantum Guru Ji) View |
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Week 6: B3LYP (Robert Cave) View |
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Grimme's Vibrational Entropy Correction - Advanced Topics in Quantum Chemistry (Practical Computational Chemistry) View |
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Introduction to Many Body Perturbation Theory (Yambo Code) View |
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Exchange-correlation functionals beyond the GGA (Aitor Bergara) View |
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5.3: benchmarking DFT and beyond-DFT for thermodynamics and electronic properties (G. Hautier) (PQ-DFT 2019) View |