Matter Modeling
Kristof Bal's user avatar
Kristof Bal's user avatar
Kristof Bal's user avatar
Kristof Bal
  • Member for 2 years, 7 months
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All Questions Answers
Score Newest
answer
16
What does B3LYP do well? What does it do badly?
May 3, 2021
answer
14
Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?
May 7, 2021
answer
11
What does this temperature & total free energy profile mean (obtained from VASP NVT molecular dynamics simulations)?
May 3, 2021
answer
9
Where to get Tersoff and SW potentials for LAMMPS
Jul 9, 2021
answer
7
Selection of appropriate Langevin damping parameter for MD of solid metal
May 3, 2021
answer
4
Berendsen thermostat: why are the two time constants not equal?
Oct 20
answer
3
LAMMPS data files, making atom IDs contiguous
May 7, 2021

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