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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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14 Is it possible to calculate the Curie temperature for magnetic systems? Dec 7 '20
12 Getting different total magnetic moment in 'scf' and 'vc-relax' calculations in Quantum ESPRESSO Dec 23 '20
12 Si energy band values are not matching with literature values Sep 26 '20
11 Is there an energy gap correction factor that needs to be used in DFT calculations? Sep 27 '20
10 How to know optimal K-points grid values for good DFT calculation? Sep 22 '20
9 Plotting density of states of Fe(BCC) using Quantum ESPRESSO Oct 23 '20
9 How to do spin polarization calculations using Quantum ESPRESSO? Sep 22 '20
9 How to choose pseudopotential for DFT calculations in Quantum ESPRESSO? Sep 21 '20
8 Spin polarized DFT calculation in Quantum ESPRESSO Oct 30 '20
8 How to predict new Half Metallic materials with higher degree of spin polarization? Sep 29 '20
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