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wcw's user avatar
wcw's user avatar
wcw
  • Member for 3 years, 11 months
  • Last seen more than a month ago
19 votes

What are the types of DFT?

12 votes
Accepted

How exact is DFT, really?

12 votes
Accepted

How does libxc calculate the potential of GGA functionals?

11 votes
Accepted

What's the relationship between the first HK theorem and the second HK theorem?

10 votes
Accepted

Benchmarking data for Ewald summation algorithms

9 votes
Accepted

What is the "formula unit surface area"?

9 votes
Accepted

How can we say that the KS equation is describing a noninteracting many-electron system?

8 votes
Accepted

Derivation on correlation function and response functions in polymer physics

8 votes
Accepted

In the PAW-method how does one come up with the most general form for the projector functions?

8 votes

Minimum image convention for non-orthorhombic unit cells

7 votes

Symmetry-preserving low-level structural relaxation

6 votes

How to calculate the enthalpy of formation?

6 votes

Lattice representation: change of unit cell

5 votes

Floquet's Theorem and ab-initio Calculations

5 votes
Accepted

One-to-one correspondence between electron density and external (Coulomb) potential

5 votes

What does the "pn" column mean in this pseudopotential file?