triqs_dftkit
3.3.0
Install triqs_dftkit
Compiling triqs_dftkit from source
Prerequisites
Installation steps
Version compatibility
Custom CMake options
Documentation
Python reference manual
triqs_dftkit
triqs_dftkit.converter_tools
triqs_dftkit.converter_tools.ConverterTools
triqs_dftkit.elk
triqs_dftkit.elk.converter
triqs_dftkit.elk.elktools
triqs_dftkit.hk
triqs_dftkit.hk.converter
triqs_dftkit.qe
triqs_dftkit.qe.driver
triqs_dftkit.vasp
triqs_dftkit.vasp.converter
triqs_dftkit.vasp.plovasp
triqs_dftkit.version
triqs_dftkit.version.show_git_hash
triqs_dftkit.version.show_version
triqs_dftkit.wannier90
triqs_dftkit.wannier90.converter
triqs_dftkit.wien2k
triqs_dftkit.wien2k.converter
triqs_dftkit.wien2k.driver
Reporting issues
Changelog
Version 4.0.0
About triqs_dftkit
triqs_dftkit
Index
Index
_
|
A
|
B
|
C
|
D
|
E
|
F
|
G
|
H
|
I
|
K
|
L
|
M
|
N
|
O
|
P
|
R
|
S
|
T
|
U
|
V
|
W
|
Y
|
Z
_
__init__() (triqs_dftkit.converter_tools.ConverterTools method)
(triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
(triqs_dftkit.hk.converter.Converter method)
(triqs_dftkit.qe.driver.Driver method)
(triqs_dftkit.qe.driver.MPIHandler method)
(triqs_dftkit.vasp.converter.Converter method)
(triqs_dftkit.vasp.plovasp.elstruct.ElectronicStructure method)
(triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
(triqs_dftkit.vasp.plovasp.proj_group.ProjectorGroup method)
(triqs_dftkit.vasp.plovasp.proj_shell.ComplementShell method)
(triqs_dftkit.vasp.plovasp.proj_shell.ProjectorShell method)
(triqs_dftkit.vasp.plovasp.sc_dmft.bcolors method)
(triqs_dftkit.vasp.plovasp.vaspio.Doscar method)
(triqs_dftkit.vasp.plovasp.vaspio.Eigenval method)
(triqs_dftkit.vasp.plovasp.vaspio.h5Doscar method)
(triqs_dftkit.vasp.plovasp.vaspio.h5Eigenval method)
(triqs_dftkit.vasp.plovasp.vaspio.h5Kpoints method)
(triqs_dftkit.vasp.plovasp.vaspio.h5Plocar method)
(triqs_dftkit.vasp.plovasp.vaspio.h5Poscar method)
(triqs_dftkit.vasp.plovasp.vaspio.Kpoints method)
(triqs_dftkit.vasp.plovasp.vaspio.Plocar method)
(triqs_dftkit.vasp.plovasp.vaspio.Poscar method)
(triqs_dftkit.vasp.plovasp.vaspio.VaspData method)
(triqs_dftkit.wannier90.converter.Converter method)
(triqs_dftkit.wien2k.converter.Converter method)
(triqs_dftkit.wien2k.driver.Driver method)
A
axangsu2() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
B
band_energy_and_write_charge_update() (triqs_dftkit.qe.driver.Driver method)
bcolors (class in triqs_dftkit.vasp.plovasp.sc_dmft)
BLUE (triqs_dftkit.vasp.plovasp.sc_dmft.bcolors attribute)
build_kmesh() (in module triqs_dftkit.wannier90.converter)
bzfoldout() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
C
calc_complement() (triqs_dftkit.vasp.plovasp.proj_group.ProjectorGroup method)
calc_hk() (triqs_dftkit.vasp.plovasp.proj_group.ProjectorGroup method)
check_and_adapt_for_soc() (in module triqs_dftkit.wannier90.converter)
check_bloch_basis_hk() (in module triqs_dftkit.wannier90.converter)
check_data_consistency() (in module triqs_dftkit.vasp.plovasp.plotools)
check_dens() (triqs_dftkit.elk.converter.Converter method)
check_hr() (in module triqs_dftkit.wannier90.converter)
check_wannier_basis_hk() (in module triqs_dftkit.wannier90.converter)
ComplementShell (class in triqs_dftkit.vasp.plovasp.proj_shell)
ConfigParameters (class in triqs_dftkit.vasp.plovasp.inpconf)
convert_bands_input() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.wien2k.converter.Converter method)
convert_contours_input() (triqs_dftkit.elk.converter.Converter method)
convert_dft_input() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.hk.converter.Converter method)
(triqs_dftkit.vasp.converter.Converter method)
(triqs_dftkit.wannier90.converter.Converter method)
(triqs_dftkit.wien2k.converter.Converter method)
convert_misc_input() (triqs_dftkit.vasp.converter.Converter method)
(triqs_dftkit.wien2k.converter.Converter method)
convert_parproj_input() (triqs_dftkit.wien2k.converter.Converter method)
convert_symmetry_input() (triqs_dftkit.vasp.converter.Converter method)
(triqs_dftkit.wien2k.converter.Converter method)
convert_transport_input() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.wien2k.converter.Converter method)
Converter (class in triqs_dftkit.elk.converter)
(class in triqs_dftkit.hk.converter)
(class in triqs_dftkit.vasp.converter)
(class in triqs_dftkit.wannier90.converter)
(class in triqs_dftkit.wien2k.converter)
ConverterTools (class in triqs_dftkit.converter_tools)
ctrl_output() (in module triqs_dftkit.vasp.plovasp.plotools)
D
debug_density_matrix() (triqs_dftkit.vasp.plovasp.elstruct.ElectronicStructure method)
density_matrix() (triqs_dftkit.vasp.plovasp.proj_shell.ComplementShell method)
(triqs_dftkit.vasp.plovasp.proj_shell.ProjectorShell method)
density_of_states() (triqs_dftkit.vasp.plovasp.proj_shell.ComplementShell method)
(triqs_dftkit.vasp.plovasp.proj_shell.ProjectorShell method)
det_shell_equivalence() (triqs_dftkit.converter_tools.ConverterTools method)
(triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.hk.converter.Converter method)
(triqs_dftkit.vasp.converter.Converter method)
(triqs_dftkit.wannier90.converter.Converter method)
(triqs_dftkit.wien2k.converter.Converter method)
determine_rep() (triqs_dftkit.elk.converter.Converter method)
determine_T() (triqs_dftkit.elk.converter.Converter method)
DFTWorkflowError
dos_tetra_weights_3d() (in module triqs_dftkit.vasp.plovasp.lintetra)
Doscar (class in triqs_dftkit.vasp.plovasp.vaspio)
Driver (class in triqs_dftkit.qe.driver)
(class in triqs_dftkit.wien2k.driver)
E
Eigenval (class in triqs_dftkit.vasp.plovasp.vaspio)
ElectronicStructure (class in triqs_dftkit.vasp.plovasp.elstruct)
ElkConverterTools (class in triqs_dftkit.elk.elktools.elk_converter_tools)
ENDC (triqs_dftkit.vasp.plovasp.sc_dmft.bcolors attribute)
excepthook() (in module triqs_dftkit.vasp.plovasp.sc_dmft)
extract_projectors() (triqs_dftkit.vasp.plovasp.proj_shell.ComplementShell method)
(triqs_dftkit.vasp.plovasp.proj_shell.ProjectorShell method)
extract_tmatrices() (triqs_dftkit.vasp.plovasp.proj_shell.ComplementShell method)
(triqs_dftkit.vasp.plovasp.proj_shell.ProjectorShell method)
F
find_rot_mat() (in module triqs_dftkit.wannier90.converter)
fourier_transform_hamiltonian() (in module triqs_dftkit.wannier90.converter)
from_file() (triqs_dftkit.vasp.plovasp.vaspio.Doscar method)
(triqs_dftkit.vasp.plovasp.vaspio.Eigenval method)
(triqs_dftkit.vasp.plovasp.vaspio.Kpoints method)
(triqs_dftkit.vasp.plovasp.vaspio.Plocar method)
(triqs_dftkit.vasp.plovasp.vaspio.Poscar method)
G
gen_perm() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
generate_and_output_as_text() (in module triqs_dftkit.vasp.plovasp.converter)
generate_local_so_matrix_t2g() (in module triqs_dftkit.wannier90.converter)
generate_plo() (in module triqs_dftkit.vasp.plovasp.plotools)
get_block_matrix_map() (triqs_dftkit.vasp.plovasp.proj_group.ProjectorGroup method)
get_dft_energy() (in module triqs_dftkit.vasp.plovasp.sc_dmft)
get_env_vars() (triqs_dftkit.qe.driver.MPIHandler method)
GREEN (triqs_dftkit.vasp.plovasp.sc_dmft.bcolors attribute)
groups_shells_consistency() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
H
h5Doscar (class in triqs_dftkit.vasp.plovasp.vaspio)
h5Eigenval (class in triqs_dftkit.vasp.plovasp.vaspio)
h5Kpoints (class in triqs_dftkit.vasp.plovasp.vaspio)
h5Plocar (class in triqs_dftkit.vasp.plovasp.vaspio)
h5Poscar (class in triqs_dftkit.vasp.plovasp.vaspio)
hk_output() (in module triqs_dftkit.vasp.plovasp.plotools)
I
is_master_node() (triqs_dftkit.qe.driver.MPIHandler method)
is_vasp_lock_present() (in module triqs_dftkit.vasp.plovasp.sc_dmft)
is_vasp_running() (in module triqs_dftkit.vasp.plovasp.sc_dmft)
issue_warning() (in module triqs_dftkit.vasp.plovasp.inpconf)
(in module triqs_dftkit.vasp.plovasp.plotools)
K
Kpoints (class in triqs_dftkit.vasp.plovasp.vaspio)
kpoints_output() (in module triqs_dftkit.vasp.plovasp.plotools)
L
local_hamiltonian() (triqs_dftkit.vasp.plovasp.proj_shell.ComplementShell method)
(triqs_dftkit.vasp.plovasp.proj_shell.ProjectorShell method)
locproj_parser() (triqs_dftkit.vasp.plovasp.vaspio.Plocar method)
M
MAGENTA (triqs_dftkit.vasp.plovasp.sc_dmft.bcolors attribute)
main() (in module triqs_dftkit.vasp.plovasp.converter)
(in module triqs_dftkit.vasp.plovasp.sc_dmft)
module
triqs_dftkit
triqs_dftkit.converter_tools
triqs_dftkit.elk
triqs_dftkit.elk.converter
triqs_dftkit.elk.elktools
triqs_dftkit.elk.elktools.elk_converter_tools
triqs_dftkit.elk.elktools.getpmatelk
triqs_dftkit.elk.elktools.readElkfiles
triqs_dftkit.hk
triqs_dftkit.hk.converter
triqs_dftkit.qe
triqs_dftkit.qe.driver
triqs_dftkit.vasp
triqs_dftkit.vasp.converter
triqs_dftkit.vasp.plovasp
triqs_dftkit.vasp.plovasp.converter
triqs_dftkit.vasp.plovasp.elstruct
triqs_dftkit.vasp.plovasp.inpconf
triqs_dftkit.vasp.plovasp.lintetra
triqs_dftkit.vasp.plovasp.plotools
triqs_dftkit.vasp.plovasp.proj_group
triqs_dftkit.vasp.plovasp.proj_shell
triqs_dftkit.vasp.plovasp.sc_dmft
triqs_dftkit.vasp.plovasp.vaspio
triqs_dftkit.version
triqs_dftkit.wannier90
triqs_dftkit.wannier90.converter
triqs_dftkit.wien2k
triqs_dftkit.wien2k.converter
triqs_dftkit.wien2k.driver
mpi_exec (triqs_dftkit.qe.driver.MPIHandler attribute)
MPIHandler (class in triqs_dftkit.qe.driver)
N
n_cores (triqs_dftkit.qe.driver.MPIHandler attribute)
nelect_window() (triqs_dftkit.vasp.plovasp.proj_group.ProjectorGroup method)
O
orthogonalize() (triqs_dftkit.vasp.plovasp.proj_group.ProjectorGroup method)
orthogonalize_projector_matrix() (triqs_dftkit.vasp.plovasp.proj_group.ProjectorGroup method)
output_as_text() (in module triqs_dftkit.vasp.plovasp.plotools)
P
parse_band_window() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_energy_window() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_file_tmatrix() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_general() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_groups() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_input() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_parameter_set() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_shells() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_string_dosmesh() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_string_int() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_string_ion_list() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_string_logical() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
parse_string_tmatrix() (triqs_dftkit.vasp.plovasp.inpconf.ConfigParameters method)
plo_output() (in module triqs_dftkit.vasp.plovasp.plotools)
Plocar (class in triqs_dftkit.vasp.plovasp.vaspio)
plotpt3d() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
Poscar (class in triqs_dftkit.vasp.plovasp.vaspio)
ProjectorGroup (class in triqs_dftkit.vasp.plovasp.proj_group)
ProjectorShell (class in triqs_dftkit.vasp.plovasp.proj_shell)
R
read_all_wannier90_data() (in module triqs_dftkit.wannier90.converter)
read_data() (triqs_dftkit.vasp.converter.Converter method)
read_dft_energy() (triqs_dftkit.qe.driver.Driver method)
read_eig() (triqs_dftkit.elk.converter.Converter method)
read_elk_file() (triqs_dftkit.elk.converter.Converter method)
read_elk_file2() (triqs_dftkit.elk.converter.Converter method)
read_fortran_file() (triqs_dftkit.converter_tools.ConverterTools method)
(triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.hk.converter.Converter method)
(triqs_dftkit.vasp.converter.Converter method)
(triqs_dftkit.wannier90.converter.Converter method)
(triqs_dftkit.wien2k.converter.Converter method)
read_geometry() (triqs_dftkit.elk.converter.Converter method)
read_header_and_data() (triqs_dftkit.vasp.converter.Converter method)
read_input_file() (in module triqs_dftkit.wannier90.converter)
read_kpoints() (triqs_dftkit.elk.converter.Converter method)
read_lines() (in module triqs_dftkit.vasp.plovasp.vaspio)
read_misc_input() (in module triqs_dftkit.wannier90.converter)
read_proj() (triqs_dftkit.elk.converter.Converter method)
read_projector() (triqs_dftkit.elk.converter.Converter method)
read_symmcar() (in module triqs_dftkit.vasp.plovasp.vaspio)
read_wannier90_blochbasis_data() (in module triqs_dftkit.wannier90.converter)
read_wannier90_centres() (in module triqs_dftkit.wannier90.converter)
read_wannier90_hr_data() (in module triqs_dftkit.wannier90.converter)
read_wannier90_symm_kpath() (in module triqs_dftkit.wannier90.converter)
readlat() (triqs_dftkit.elk.converter.Converter method)
readsym() (triqs_dftkit.elk.converter.Converter method)
RED (triqs_dftkit.vasp.plovasp.sc_dmft.bcolors attribute)
reorder_orbital_and_spin() (in module triqs_dftkit.wannier90.converter)
repack() (triqs_dftkit.converter_tools.ConverterTools method)
(triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.hk.converter.Converter method)
(triqs_dftkit.vasp.converter.Converter method)
(triqs_dftkit.wannier90.converter.Converter method)
(triqs_dftkit.wien2k.converter.Converter method)
report() (triqs_dftkit.qe.driver.MPIHandler method)
rotaxang() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
rotsym() (triqs_dftkit.elk.converter.Converter method)
run_all() (in module triqs_dftkit.vasp.plovasp.sc_dmft)
run_initial_stage() (triqs_dftkit.qe.driver.Driver method)
(triqs_dftkit.wien2k.driver.Driver method)
run_mod_scf() (triqs_dftkit.qe.driver.Driver method)
run_nscf() (triqs_dftkit.qe.driver.Driver method)
run_pw2wannier90() (triqs_dftkit.qe.driver.Driver method)
run_scf() (triqs_dftkit.qe.driver.Driver method)
run_update_stage() (triqs_dftkit.qe.driver.Driver method)
(triqs_dftkit.wien2k.driver.Driver method)
run_wannier90() (triqs_dftkit.qe.driver.Driver method)
run_wannier90_pp() (triqs_dftkit.qe.driver.Driver method)
S
search_for() (triqs_dftkit.vasp.plovasp.vaspio.Plocar method)
select_bands() (triqs_dftkit.vasp.plovasp.proj_group.ProjectorGroup method)
select_projectors() (triqs_dftkit.vasp.plovasp.proj_shell.ComplementShell method)
(triqs_dftkit.vasp.plovasp.proj_shell.ProjectorShell method)
show_git_hash() (in module triqs_dftkit.version)
show_version() (in module triqs_dftkit.version)
sigint_handler() (in module triqs_dftkit.vasp.plovasp.sc_dmft)
sort_dft_eigvalues() (triqs_dftkit.elk.converter.Converter method)
split_string() (triqs_dftkit.elk.converter.Converter method)
split_string2() (triqs_dftkit.elk.converter.Converter method)
split_string3() (triqs_dftkit.elk.converter.Converter method)
symlat_to_complex_harmonics() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
T
triqs_dftkit
module
triqs_dftkit.converter_tools
module
triqs_dftkit.elk
module
triqs_dftkit.elk.converter
module
triqs_dftkit.elk.elktools
module
triqs_dftkit.elk.elktools.elk_converter_tools
module
triqs_dftkit.elk.elktools.getpmatelk
module
triqs_dftkit.elk.elktools.readElkfiles
module
triqs_dftkit.hk
module
triqs_dftkit.hk.converter
module
triqs_dftkit.qe
module
triqs_dftkit.qe.driver
module
triqs_dftkit.vasp
module
triqs_dftkit.vasp.converter
module
triqs_dftkit.vasp.plovasp
module
triqs_dftkit.vasp.plovasp.converter
module
triqs_dftkit.vasp.plovasp.elstruct
module
triqs_dftkit.vasp.plovasp.inpconf
module
triqs_dftkit.vasp.plovasp.lintetra
module
triqs_dftkit.vasp.plovasp.plotools
module
triqs_dftkit.vasp.plovasp.proj_group
module
triqs_dftkit.vasp.plovasp.proj_shell
module
triqs_dftkit.vasp.plovasp.sc_dmft
module
triqs_dftkit.vasp.plovasp.vaspio
module
triqs_dftkit.version
module
triqs_dftkit.wannier90
module
triqs_dftkit.wannier90.converter
module
triqs_dftkit.wien2k
module
triqs_dftkit.wien2k.converter
module
triqs_dftkit.wien2k.driver
module
U
update_so_quatities() (triqs_dftkit.elk.converter.Converter method)
V
v3frac() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
VaspData (class in triqs_dftkit.vasp.plovasp.vaspio)
W
write_charge_correction() (triqs_dftkit.wien2k.driver.Driver method)
Y
YELLOW (triqs_dftkit.vasp.plovasp.sc_dmft.bcolors attribute)
ylmrot() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
ylmroty() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)
Z
zyz_euler() (triqs_dftkit.elk.converter.Converter method)
(triqs_dftkit.elk.elktools.elk_converter_tools.ElkConverterTools method)