pypi.org "pseudopotential" keyword
View the packages on the pypi.org package registry that are tagged with the "pseudopotential" keyword.
asedftk 0.2.7
DFTK-based calculator for ASE15 versions - Latest release: over 4 years ago - 1 dependent repositories - 303 downloads last month - 2 stars on GitHub - 1 maintainer
gpaw-data 1.0.1
Data package for PAW files and other data files for the GPAW DFT code.2 versions - Latest release: 7 months ago - 295 downloads last month - 1 maintainer
Related Keywords
DFT
2
projector-augmented waves
1
PAW
1
density-functional theory
1
GPAW
1
simulation
1
python
1
julia
1
electronic-structure
1
dftk
1
density-functional-theory
1
atomistic-simulations
1
ase
1
DFTK
1
ASE
1
analysis
1
ab-initio
1
structure
1
electronic
1
science
1
materials
1
quantum
1
chemistry
1
computational
1
theory
1
density-functional
1