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Anyon's user avatar
Anyon's user avatar
Anyon's user avatar
Anyon
  • Member for 4 years, 1 month
  • Last seen this week
3 votes
Accepted

Spin-orbit coupling and lattice constant

1 vote
Accepted

Electric-field/ length gauge : momentum displacement property

2 votes

What is the minimum number of atoms required to run a Monte Carlo simulation meaningfully?

4 votes
Accepted

What is just "LDA" in GPAW?

5 votes
Accepted

A terminology for QM calculation methods

6 votes

Improving my programming for computational chemistry/physics

7 votes

How can I change the mass of an electron in the hamiltonian on a PySCF calculation?

8 votes
Accepted

Bash script - making set of subdirectories according to some file names in the directory

4 votes
Accepted

Are there interesting applications of estimating the energy for generalizations of the Heisenberg model?

4 votes
Accepted

How to transform the two-dimensional Berry curvature integral into a loop integral along Fermi circle?

9 votes
Accepted

Find with grep in terminal last hit in log file

5 votes
Accepted

Meaning of Kronecker Product in Transport Theory behind BoltzTrap2

7 votes

Future and limitations of DFT

7 votes
Accepted

What is the significance of Fermi surface shape?

11 votes
Accepted

Is there any specific name for non-ferrous metals which are not noble metals?

5 votes
Accepted

Why is there a large discrepancy between calculated frequency dependent dielectric function and experimental measurement?

9 votes
Accepted

Proper handling of change of units in numerical calculations

6 votes

What is the meaning of these d states names?

4 votes
Accepted

Example of a standard/archetypal/simple 4-band un-gapped condensed matter model with analytic results?

7 votes
Accepted

How is the error in a wavefunction related to the error in energy?

10 votes
Accepted

What's the past and future of 2D materials since graphene?

5 votes
Accepted

Are there other kinds of stability of materials? How to demonstrate that with computation approaches?

6 votes
Accepted

Has it been researched whether face centered cubic carbon is stable?

8 votes

What will break the time-reversal symmetry?

7 votes

Hubbard U correction for Copper

10 votes

Software for solving quantum systems in 1D and 2D

17 votes
Accepted

Ising model: How can I spot the critical point?

12 votes

Introduction to protein folding for mathematicians

9 votes
Accepted

What is a chemputer?

8 votes
Accepted

Does One-to-One Correspondence of Hohenberg Kohn Theorem Mean Bijective or Injective and How to Prove it?