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Ashique Lal's user avatar
Ashique Lal's user avatar
Ashique Lal's user avatar
Ashique Lal
  • Member for 3 years, 3 months
  • Last seen more than a month ago
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20
What is the difference between Ultrasoft, ONCV and PAW Pseudopotentials? Which is better for a spin-orbit coupled calculation?
18
What is nscf calculation in Quantum ESPRESSO?
16
When do I use the lattice parameters obtained computationally vs experimentally?
11
How to calculate the potential in Hubbard-U correction and when to apply it?
11
How to calculate the energy of conduction band and valence band with respect to vacuum in quantum espresso?

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