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Ujjawal M.

I am an Integrated Masters student in Material Science & Engineering. I am passionate about competitive programming, solid state physics and materials modelling.

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  • Last seen Oct 12 at 6:43

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12 Si energy band values are not matching with literature values Sep 26
11 Is there an energy gap correction factor that needs to be used in DFT calculations? Sep 27
10 How to know optimal K-points grid values for good DFT calculation? Sep 22
9 How to choose pseudopotential for DFT calculations in Quantum ESPRESSO? Sep 21
8 How to predict new Half Metallic materials with higher degree of spin polarization? Sep 29
8 How to do spin polarization calculations using Quantum ESPRESSO? Sep 22
7 What is the physical meaning of occupations='smearing' in Quantum ESPRESSO? Oct 4

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