elutionary's user avatar
elutionary's user avatar
elutionary's user avatar
elutionary
  • Member for 3 years, 5 months
  • Last seen this week
  • USA
11 votes
Accepted

Fermi Energy in Band Structure

5 votes

In solids physics, how are Van Der Waals forces modelled?

5 votes
Accepted

Fcc lattice with two atom basis equivalent to tetragonal lattice?

5 votes

computing cholesky errer in nscf calculations?

5 votes
Accepted

Self-interaction in density functional approximations for many-electron systems

4 votes
Accepted

Is the one-electron reduced density matrix enough in DFT?

4 votes

How to calculate the charge density using Quantum Espresso?

4 votes
Accepted

Determining the Nature of a Material's Band Structure: Metallic or Semi-Metallic?

4 votes
Accepted

What is the branching space of a conical section?

4 votes
Accepted

Plane-wave basis expansion for periodic material modelling: cutoff energy inequality and number of atoms in the simulation

4 votes
Accepted

First order variation of the wave function of conduction states

4 votes

Explicit form of Hartree Fock analytic gradient with contracted GTOs? With or without density fitting

3 votes

How to select the projections and inner/outer window for Wannier90 calculations?

3 votes
Accepted

Is the pseudopotential designed for GGA also suited for meta-GGA?

2 votes

Norm conserving LDA fully relativistic pseudopotential in quantum espresso

1 vote

How to read UPF pseudopotential for ultrasoft pseudopotential simple in a fortran program