Matter Modeling
Ashique Lal's user avatar
Ashique Lal's user avatar
Ashique Lal's user avatar
Ashique Lal
  • Member for 2 years, 7 months
  • Last seen more than a week ago
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All Questions Answers
Score Newest
question
18
What is the difference between Ultrasoft, ONCV and PAW Pseudopotentials? Which is better for a spin-orbit coupled calculation?
Aug 9, 2020
question
17
What is nscf calculation in Quantum ESPRESSO?
Oct 26, 2020
question
15
When do I use the lattice parameters obtained computationally vs experimentally?
Oct 3, 2020
question
10
Is it possible to calculate non-resonant Raman coefficient in Quantum ESPRESSO for systems that require smearing to converge?
Sep 6, 2021
question
10
How to calculate the energy of conduction band and valence band with respect to vacuum in quantum espresso?
Nov 10, 2020
question
9
How to calculate the thickness of the slab when simulating a bulk surface? [closed]
Jun 19, 2021
question
9
Spin polarized calculation gives different solution in SIESTA and Quantum ESPRESSO
Dec 27, 2021
question
9
How to calculate the potential in Hubbard-U correction and when to apply it?
Oct 26, 2020
question
9
How to apply solvent model in Quantum ESPRESSO?
Oct 26, 2020
question
9
How to model electric field in Quantum ESPRESSO?
Oct 26, 2020

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