Search:

Sign in Toggle Dropdown
Wiki
Py4vasp
Learn Toggle Dropdown
- Tutorials
- Videos
Info Toggle Dropdown
- About
- News
- Team
- Faqs
- Resources
- Contact

Search:

py4vasp
- Installation
- Quick start
calculation
- Calculation
- band
- bandgap
- born_effective_charge
- CONTCAR
- density
- dielectric_function
- dielectric_tensor
- dos
- elastic_modulus
- energy
- fatband
- force
- force_constant
- internal_strain
- kpoint
- magnetism
- pair_correlation
- phonon_band
- phonon_dos
- piezoelectric_tensor
- polarization
- potential
- projector
- stress
- structure
- system
- topology
- velocity
- workfunction
raw
- access
- Band
- Bandgap
- BornEffectiveCharge
- Cell
- CONTCAR
- Density
- DielectricFunction
- DielectricTensor
- Dispersion
- Dos
- ElasticModulus
- Energy
- Fatband
- Force
- ForceConstant
- get_schema
- InternalStrain
- Kpoint
- Magnetism
- NONE
- PairCorrelation
- PhononBand
- PhononDos
- PiezoelectricTensor
- Polarization
- Potential
- Projector
- selections
- Stress
- Structure
- System
- Topology
- VaspData
- Velocity
- Version
- Workfunction
exception

latest
0.7
0.4

Contents

py4vasp

Installation
Quick start

calculation

Calculation
band
bandgap
born_effective_charge
CONTCAR
density
dielectric_function
dielectric_tensor
dos
elastic_modulus
energy
fatband
force
force_constant
internal_strain
kpoint
magnetism
pair_correlation
phonon_band
phonon_dos
piezoelectric_tensor
polarization
potential
projector
stress
structure
system
topology
velocity
workfunction

raw

exception

FileAccessError
IncorrectUsage
MissingAttribute
ModuleNotInstalled
NoData
NotImplemented
OutdatedVaspVersion
ParserError
Py4VaspError
RefinementError
StopExecution

latest
0.7
0.4

selections¶

py4vasp.raw.selections(quantity)¶: Return all possible selections for a particular quantity.

Impressum Privacy Policy Terms of Use

Copyright © 2024, VASP Software GmbH