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py4vasp
- Installation
- Quick start
calculation
- Calculation
- band
- born_effective_charge
- density
- dielectric_function
- dielectric_tensor
- dos
- elastic_modulus
- energy
- force
- force_constant
- internal_strain
- kpoint
- magnetism
- piezoelectric_tensor
- polarization
- projector
- stress
- structure
- system
- topology
- INCAR
- KPOINTS
- POSCAR
- from_path
- path
raw
data
- Band
- BornEffectiveCharge
- Density
- DielectricFunction
- DielectricTensor
- Dos
- ElasticModulus
- Energy
- Force
- ForceConstant
- InternalStrain
- Kpoint
- Magnetism
- PiezoelectricTensor
- Polarization
- Projector
- Stress
- Structure
- System
- Topology
- Viewer3d
exceptions

latest
0.4.0

Contents

py4vasp

Installation
Quick start

calculation

Calculation
band
born_effective_charge
density
dielectric_function
dielectric_tensor
dos
elastic_modulus
energy
force
force_constant
internal_strain
kpoint
magnetism
piezoelectric_tensor
polarization
projector
stress
structure
system
topology
INCAR
KPOINTS
POSCAR
from_path
path

raw

DataDict
File
RawBand
RawBornEffectiveCharge
RawCell
RawDensity
RawDielectricFunction
RawDielectricTensor
RawDos
RawElasticModulus
RawEnergy
RawForce
RawForceConstant
RawInternalStrain
RawKpoint
RawMagnetism
RawPiezoelectricTensor
RawPolarization
RawProjector
RawStress
RawStructure
RawSystem
RawTopology
RawVersion

data

Band
BornEffectiveCharge
Density
DielectricFunction
DielectricTensor
Dos
ElasticModulus
Energy
Force
ForceConstant
InternalStrain
Kpoint
Magnetism
PiezoelectricTensor
Polarization
Projector
Stress
Structure
System
Topology
Viewer3d

exceptions

FileAccessError
IncorrectUsage
NoData
NotImplemented
OutdatedVaspVersion
Py4VaspError
RefinementError
StopExecution

latest
0.4.0

IncorrectUsage¶

exception py4vasp.exceptions.IncorrectUsage¶: The user provided input is not suitable for processing

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