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Ashique Lal

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earned this badge 7 times.

How to apply solvent model in Quantum ESPRESSO?

Awarded Aug 26 at 23:49

How to calculate the potential in Hubbard-U correction and when to apply it?

Awarded May 11 at 6:16

Is it possible to calculate non-resonant Raman coefficient in Quantum ESPRESSO for systems that require smearing to converge?

Awarded Mar 23 at 15:09

How to calculate the energy of conduction band and valence band with respect to vacuum in quantum espresso?

Awarded Nov 21, 2020 at 8:31

What is nscf calculation in Quantum ESPRESSO?

Awarded Oct 28, 2020 at 0:22

When do I use the lattice parameters obtained computationally vs experimentally?

Awarded Oct 7, 2020 at 10:42

What is the difference between Ultrasoft, ONCV and PAW Pseudopotentials? Which is better for a spin-orbit coupled calculation?

Awarded Aug 16, 2020 at 21:35

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