adsorbate
allotrope
aluminium
Ångström
anisotropic
anisotropy
Appelbaum
ase
ASE
atomization
Bader
BCC
Blaha
Blöchl
blocksize
Brillouin
Cholesky
CLI
collinear
criterium
CSV
cupy
dataset
datasets
deallocated
deallocation
der
DF
DFT
diagonalization
diagonalizing
dichroism
discreticed
docstring
docstrings
dtype
dzp
eigensolver
eigensolvers
eigenstates
eigenvectors
electrochemical
energetics
eV
executables
fd
FD
ferrimagnetic
ferro
FFT
Fock
Fortran
functionals
Goedecker
GPU
gpw
graphene
GW
Häkkinen
Hamann
Hartree
Hartwigsen
HCP
hermitian
Hirshfeld
Hund
Hutter
hyperfine
IBZ
inplace
integrations
intercalate
iteratively
jellium
Jupyter
Jupyter
Kohn
lapack
lcao
LCAO
libvdwxc
libxc
login
Lyngby
mBEEF
Methfessel
meV
Monkhorst
monopole
MPI
multigrid
multipole
multipoles
multithreaded
nabla
ndarray
ndarrays
Niflheim
numpy
optimizations
orthonormal
orthorhombic
othonormalized
parallelization
parallelize
parallelized
parametrized
Paxton
perturbative
perturbatively
phonon
plasmon
preconditioner
prefactor
prepend
prepended
profiler
pseudopotentials
Pulay
pw
PW
quasistatic
radians
radiative
Raman
refactored
refactoring
revPBE
revTPSS
RPA
scalapack
Schrödinger
Scullin
solvated
solvation
spinor
spinors
strided
subclasses
supercell
supercells
svdW
SVG
symmetrized
symmorphic
TB
TB
Thygesen
Trac
Tuple
untrusted
variational
vdW
vectorial
Waals
Wannier
wavefunction
wavefunctions
wrt
XC
xyz
uniaxial
phenylpyrrole
phonons
th
SCF
quick'n'dirty
Hund
BZ
traceback
fft
Nicolson
TDDFT
hartree
ULM
CBM
