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Tutorial on Density Functional Theory using quantum espresso | by Benjamin Obi Tayo Ph.D. | Modern Physics | Medium
First Principle Calculation of Electronic, Optical Properties and Photocatalytic Potential of CuO Surfaces | KnE Engineering
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PDF] DFT Calculations Using Quantum ESPRESSO for Optical and Electronic Properties of Si Crystal by Muhammad Hassan Bashir, Muhammad Sohail, Syed Mujtaba Ul Hassan, Tayyaba Nawaz · OA.mg · 10.4028/p-fm671p
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Tutorial on Density Functional Theory using quantum espresso | by Benjamin Obi Tayo Ph.D. | Modern Physics | Medium
![Tutorial on Density Functional Theory using quantum espresso | by Benjamin Obi Tayo Ph.D. | Modern Physics | Medium Tutorial on Density Functional Theory using quantum espresso | by Benjamin Obi Tayo Ph.D. | Modern Physics | Medium](https://miro.medium.com/max/1186/1*5JXBuW5KUzi9a2b5wD04tw.png)
Tutorial on Density Functional Theory using quantum espresso | by Benjamin Obi Tayo Ph.D. | Modern Physics | Medium
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Flow diagram of an ab initio derivation for an effective low-energy... | Download Scientific Diagram
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Scalability for large-scale calculations: wall time (left panel) and... | Download Scientific Diagram
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density functional theory - Spin polarized DFT calculation in Quantum ESPRESSO - Matter Modeling Stack Exchange
![Why the band gap result of my DFT (using Quantum Espresso) calculation different with the band gap of the literature data? Why the band gap result of my DFT (using Quantum Espresso) calculation different with the band gap of the literature data?](https://www.researchgate.net/profile/Monalisa_Ramadhan/post/Why-the-band-gap-result-of-my-DFT-using-Quantum-Espresso-calculation-different-with-the-band-gap-of-the-literature-data/attachment/5ee642894c18f9000129c70b/AS%3A902350856273921%401592148617766/image/plotdos_Mg2Si.png)
Why the band gap result of my DFT (using Quantum Espresso) calculation different with the band gap of the literature data?
![Why the band gap result of my DFT (using Quantum Espresso) calculation different with the band gap of the literature data? Why the band gap result of my DFT (using Quantum Espresso) calculation different with the band gap of the literature data?](https://www.researchgate.net/profile/Monalisa_Ramadhan/post/Why-the-band-gap-result-of-my-DFT-using-Quantum-Espresso-calculation-different-with-the-band-gap-of-the-literature-data/attachment/5ee64289cf1f7a00018e56d5/AS%3A902350856269826%401592148617848/download/plotbands_Mg2Si.png)