master
API reference
Utilities
Installation and technical remarks
Benchmarking with
postw90.x
Methods
External software used
Index
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API reference
Initializing a System
Symmetrization of the system
From Wannier functions
Wannier90
FPLO
ASE
From tight-binding models
wannier90_tb.dat
file
PythTB
TBmodels
\(\mathbf{k}\cdot\mathbf{p}\)
models
Running a calculation
Single k-point
Calculators
Static (dependent only on Fermi level)
Dynamic (dependent on Fermi level and frequency)
Tabulating
Formula
Basic classes:
Some implemented formulae:
Some extra formulae (for testiing):
Result
Parallel execution
multi-node mode
Grid or Path
Symmetries
Smoother
Data_K class
Models
Utilities
mmn2uHu
vaspspn
Plotting lines and planes (tab_plot)
postw90.x
emulator
Installation and technical remarks
Parallelization
Windows OS
known bug with pyfftw
Benchmarking with
postw90.x
Methods
General equations for Wannier interpolation
Mixed Fourier transform
Symmetries
Recursive adaptive refinement
Minimal-distance replica selection method
External software used
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