Matter Modeling
Anubhab Haldar's user avatar
Anubhab Haldar's user avatar
Anubhab Haldar's user avatar
Anubhab Haldar
  • Member for 3 years, 6 months
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All Questions Answers
Score Newest
question
14
What is the precise location of the grid points/voxels in a Gaussian .cube file?
May 30, 2020
answer
14
How to generate the high symmetry paths for band structure calculations?
Jul 11, 2021
answer
13
Difficult cases for converging Kohn-Sham SCF calculations
May 15, 2020
answer
12
KS-DFT versus G0W0
May 19, 2021
answer
11
How does the mBJ potential give an accurate band gap as compared to LDA and GGA?
May 23, 2020
answer
9
What are the pitfalls of calculating band gaps via density functional theory?
Oct 15, 2020
answer
9
VASP GW PAW Pseudopotentials
Oct 12, 2021
answer
8
Can GW-BSE quasiparticle calculations only be run on norm-conserving pseudopotentials (NCPPs)? If so, why not?
Jun 9, 2020
answer
7
Can we do anything to reduce the number of displacements in a frozen phonon lattice dynamics study?
Jun 9, 2020
answer
3
How do you model quantum-confinement effects in optically active (e.g. plasmonic) mesoscopic structures?
May 23, 2020

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