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py4vasp
- Installation
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Calculation
- from_path
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- band
- born_effective_charge
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- dielectric_tensor
- dispersion
- dos
- elastic_modulus
- energy
- fatband
- force
- force_constant
- internal_strain
- kpoint
- magnetism
- pair_correlation
- phonon_band
- phonon_dos
- piezoelectric_tensor
- polarization
- projector
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- structure
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- topology
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- INCAR
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- path
raw
- Band
- BornEffectiveCharge
- Cell
- Density
- DielectricFunction
- DielectricTensor
- Dispersion
- Dos
- ElasticModulus
- Energy
- Fatband
- Force
- ForceConstant
- InternalStrain
- Kpoint
- Magnetism
- PairCorrelation
- PhononBand
- PhononDos
- PiezoelectricTensor
- Polarization
- Projector
- Stress
- Structure
- System
- Topology
- VaspData
- Velocity
- Version
- access
data
- Band
- BornEffectiveCharge
- Density
- DielectricFunction
- DielectricTensor
- Dispersion
- Dos
- ElasticModulus
- Energy
- Fatband
- Force
- ForceConstant
- InternalStrain
- Kpoint
- Magnetism
- PairCorrelation
- PhononBand
- PhononDos
- PiezoelectricTensor
- Polarization
- Projector
- Stress
- Structure
- System
- Topology
- Velocity
exception

latest
0.7
0.4

Contents

py4vasp

Installation
Quick start

Calculation

raw

Band
BornEffectiveCharge
Cell
Density
DielectricFunction
DielectricTensor
Dispersion
Dos
ElasticModulus
Energy
Fatband
Force
ForceConstant
InternalStrain
Kpoint
Magnetism
PairCorrelation
PhononBand
PhononDos
PiezoelectricTensor
Polarization
Projector
Stress
Structure
System
Topology
VaspData
Velocity
Version
access

data

Band
BornEffectiveCharge
Density
DielectricFunction
DielectricTensor
Dispersion
Dos
ElasticModulus
Energy
Fatband
Force
ForceConstant
InternalStrain
Kpoint
Magnetism
PairCorrelation
PhononBand
PhononDos
PiezoelectricTensor
Polarization
Projector
Stress
Structure
System
Topology
Velocity

exception

FileAccessError
IncorrectUsage
NoData
NotImplemented
OutdatedVaspVersion
Py4VaspError
RefinementError
StopExecution

latest
0.7
0.4

POSCAR

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