pypi.org "vasp-calculations" keyword
vise 0.9.5
Package for handling io of vasp package in kumagai group at IMR, Tohoku university56 versions - Latest release: over 1 year ago - 2 dependent packages - 1 dependent repositories - 47.1 thousand downloads last month - 29 stars on GitHub - 1 maintainer
pydefect 0.10.1
Integrated environment for first-principles point-defect calculations49 versions - Latest release: 6 months ago - 3 dependent packages - 1 dependent repositories - 47.1 thousand downloads last month - 67 stars on GitHub - 1 maintainer
kpoints-generator 0.3.0
A Python wrapper for the k-point grid generator Java package2 versions - Latest release: over 1 year ago - 36 downloads last month - 0 stars on GitHub - 1 maintainer
ramannoodle 0.5.0
Calculate Raman spectra from first-principles calculations.7 versions - Latest release: about 2 years ago - 23 downloads last month - 10 stars on GitHub - 1 maintainer
Related Keywords
vasp
4
python3
3
dft
2
vasp-processing
2
phonopy
1
python
1
raman-cross-section
1
raman-spectra
1
raman-spectroscopy
1
raman-spectrum
1
spectroscopy
1
vibrational-analysis
1
kpoints
1
computational-chemistry
1
vasp-files
1
vasp-kpoints
1
electronic-structure
1
molecular-dynamics-trajectories
1
molecular-dynamics-analysis
1
molecular-dynamics
1
machine-learning
1
graph-neural-networks
1
density-functional-theory
1
polarizability
1
dynamics
1
molecular
1
phonons
1
spectrum
1
raman
1
point-defects
1