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Ujjawal M.

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

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  • Varanasi, Uttar Pradesh, India
  • Member for 10 months
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18 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 Does the spin polarised DFT calculation mean broken time reversal symmetry? Jul 19
10 Plotting density of states of Fe(BCC) using Quantum ESPRESSO Oct 23 '20
10 How to know optimal K-points grid values for good DFT calculation? Sep 22 '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 Why volume of unit cell is not the same as cubing the lattice constant? May 21
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