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About
Theory
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Selected Highlights
Other Work
Installation
Tutorials
Tutorial 01: Electronic Structure
Tutorial 02: Boltzmann Transport
Internals
Project Overview
Development Environment
Contribution Guidelines
Docstrings
Testing
Release and Maintenance
Internal Basis Workflow
ACBN0 Module
Non-local Velocity Correction
Slater-Koster and EDTB Module
CLI Input and Script Generators
API Reference
PAOFLOW.ACBN0
PAOFLOW.DataController
PAOFLOW.ErrorHandler
PAOFLOW.GPAO
PAOFLOW.PAOFLOW
PAOFLOW.Transport
PAOFLOW.acbn0_native
PAOFLOW.basis_gen
PAOFLOW.basis_gen.atomic_potential
PAOFLOW.basis_gen.cli
PAOFLOW.basis_gen.driver
PAOFLOW.basis_gen.radial
PAOFLOW.basis_gen.xc
PAOFLOW.boltzmann
PAOFLOW.boltzmann.TauModel
PAOFLOW.boltzmann.do_Boltz_tensors
PAOFLOW.boltzmann.do_doping
PAOFLOW.boltzmann.do_tau_models
PAOFLOW.boltzmann.do_transport
PAOFLOW.elphon
PAOFLOW.elphon.basis
PAOFLOW.elphon.displacements
PAOFLOW.elphon.do_elphon
PAOFLOW.elphon.do_gkq
PAOFLOW.elphon.do_pao_eph
PAOFLOW.elphon.dvscf_fd
PAOFLOW.elphon.elph_bloch
PAOFLOW.elphon.eph_kq
PAOFLOW.elphon.fold
PAOFLOW.elphon.gkq
PAOFLOW.elphon.io
PAOFLOW.elphon.qe_elph_io
PAOFLOW.elphon.qe_matdyn
PAOFLOW.elphon.symmetry
PAOFLOW.epsilon_native
PAOFLOW.gen
PAOFLOW.gen.aflow_qe
PAOFLOW.gen.fermi_plotter
PAOFLOW.gen.paoflow_driver
PAOFLOW.gen.qe_input
PAOFLOW.graphics
PAOFLOW.graphics.color
PAOFLOW.graphics.plot_functions
PAOFLOW.hamiltonian
PAOFLOW.hamiltonian.add_ext_field
PAOFLOW.hamiltonian.do_build_pao_hamiltonian
PAOFLOW.hamiltonian.do_d2Hd2k
PAOFLOW.hamiltonian.do_double_grid
PAOFLOW.hamiltonian.do_doubling
PAOFLOW.hamiltonian.do_gradient
PAOFLOW.hamiltonian.do_momentum
PAOFLOW.hamiltonian.do_real_space
PAOFLOW.hamiltonian.do_spin_orbit
PAOFLOW.hamiltonian.nonlocal_velocity
PAOFLOW.hamiltonian.pao_sym
PAOFLOW.inputs
PAOFLOW.inputs.basis_presets
PAOFLOW.inputs.file_io
PAOFLOW.inputs.lattice_format
PAOFLOW.inputs.read_QE_xml
PAOFLOW.inputs.read_VASP
PAOFLOW.inputs.read_inputfile_xml_parse
PAOFLOW.inputs.read_pao_output
PAOFLOW.inputs.read_sh_nl
PAOFLOW.inputs.read_upf
PAOFLOW.models
PAOFLOW.models.band_unfold
PAOFLOW.models.dual_params
PAOFLOW.models.edtb_params
PAOFLOW.models.models
PAOFLOW.models.sk_fitting
PAOFLOW.models.surface_project
PAOFLOW.phonon
PAOFLOW.phonon.do_born_charges
PAOFLOW.phonon.do_ir_raman
PAOFLOW.phonon.do_phonopy
PAOFLOW.phonon.do_qha
PAOFLOW.phonon.do_vibrational_dielectric
PAOFLOW.phonon.io
PAOFLOW.phonon.structure
PAOFLOW.projection
PAOFLOW.projection.do_atwfc_proj
PAOFLOW.projection.do_minimal
PAOFLOW.projection.do_non_ortho
PAOFLOW.projection.do_ortho
PAOFLOW.projection.do_projectability
PAOFLOW.projection.projection_operator
PAOFLOW.projection.upf_gaussfit
PAOFLOW.pyskeaf
PAOFLOW.pyskeaf.cli
PAOFLOW.pyskeaf.config
PAOFLOW.pyskeaf.constants
PAOFLOW.pyskeaf.dos
PAOFLOW.pyskeaf.geometry
PAOFLOW.pyskeaf.interp
PAOFLOW.pyskeaf.io_bxsf
PAOFLOW.pyskeaf.orbits
PAOFLOW.pyskeaf.paoflow_adapter
PAOFLOW.pyskeaf.results
PAOFLOW.pyskeaf.runner
PAOFLOW.pyskeaf.slice_ops
PAOFLOW.response
PAOFLOW.response.do_Hall
PAOFLOW.response.do_epsilon
PAOFLOW.response.do_ipr
PAOFLOW.response.do_rashba_edelstein
PAOFLOW.spectrum
PAOFLOW.spectrum.do_Efermi
PAOFLOW.spectrum.do_adaptive_smearing
PAOFLOW.spectrum.do_band_curvature
PAOFLOW.spectrum.do_bands
PAOFLOW.spectrum.do_dos
PAOFLOW.spectrum.do_effective_mass
PAOFLOW.spectrum.do_eigh
PAOFLOW.spectrum.do_pdos
PAOFLOW.spectrum.do_site_projected_bands
PAOFLOW.spectrum.kpnts_interpolation_mesh
PAOFLOW.spectrum.sparse_bands
PAOFLOW.topology
PAOFLOW.topology.clebsch_gordan
PAOFLOW.topology.do_berry_phase
PAOFLOW.topology.do_fermisurf
PAOFLOW.topology.do_find_Weyl
PAOFLOW.topology.do_spin_texture
PAOFLOW.topology.do_topology
PAOFLOW.topology.do_wave_function_site_projection
PAOFLOW.topology.pfaffian
PAOFLOW.transport
PAOFLOW.transport.calculators
PAOFLOW.transport.conductor_energy_loop
PAOFLOW.transport.conductor_kpoint
PAOFLOW.transport.conductor_orchestration
PAOFLOW.transport.conductor_pipeline
PAOFLOW.transport.conductor_steps
PAOFLOW.transport.conductor_writers
PAOFLOW.transport.data
PAOFLOW.transport.grid
PAOFLOW.transport.hamiltonian
PAOFLOW.transport.io
PAOFLOW.transport.parsers
PAOFLOW.transport.partition
PAOFLOW.transport.results
PAOFLOW.transport.smearing
PAOFLOW.transport.utils
PAOFLOW.transport.validation
PAOFLOW.transport.workspace
PAOFLOW.utils
PAOFLOW.utils.communication
PAOFLOW.utils.constants
PAOFLOW.utils.get_K_grid_fft
PAOFLOW.utils.get_R_grid_fft
PAOFLOW.utils.header
PAOFLOW.utils.module_prerequisites
PAOFLOW.utils.perturb_split
PAOFLOW.utils.pyints
PAOFLOW.utils.report_exception
PAOFLOW.utils.smearing
PAOFLOW.utils.zero_pad
PAOFLOW.writers
PAOFLOW.writers.write2bxsf
PAOFLOW.writers.write2bxsf4skeaf
PAOFLOW.writers.write2xsf
PAOFLOW.writers.write4bt2
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