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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?

10 votes

Software for solving quantum systems in 1D and 2D

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

12 votes
Accepted

The Hund's J - Why can this be quantified?

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?