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esta.vaspBag.postproc.planarAverage.v0pt4_stable
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reenergy_grrm
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innout
innout
get_docx
interval2Range
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kappalBag
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lib_xyz
lib_xyz
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mlBag
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dpe
phonon
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yaml_read_band
phononBag
phononBag
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eigen_vector_adv
get_dynG
intensity
ir_intensity
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plot_kappa_multiple_systems
read_kappa
phonopy
phonopy
eigen_vector
eigenvector
get_phonon_disp_with_phdos
gruneisen
phonon_dispersion
projected_phonon_dos
read_force_constant
read_force_constant
read_force_constant_stable
plot
plot
atomic_Distance_Density
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broken_axis_plot__most_done_only_axis_allignmnet_left
charge_bader
free_energy_2
get_plot_potential_energy
multiplot
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23
band_gap_xml
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critic2_qe_input
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get_kohn_sham_energy
get_kpath_bandstr
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neb_qe
neb_qe1
parse_cmdline
parse_pseudo
poscar_from_qe_input
poscar_from_qe_input0
poscar_from_qe_input1
poscar_from_qe_input2
poscar_from_qe_input3
pspot_core_states
qe_comment
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replace_pseudo_UPF
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siestaBag
spaceGroup
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transform
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special_symbol
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surfReact
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transitionState
transitionState
associated_legendre
neb
optimizer
potential_2D
turbomoleBag
vaspBag
vaspBag
add_vacuum_to_unit_cell
band_gap
inout
inout
cartesian2crystal
crystal2cartesian
crystal_lattice
crystal_lattice_stable19072026
diameter_or_area_nanowire
get_kpath_bandstr
get_labelling_atoms
lattice
old_reciprocal_lattice
read_eigenval
read_eigenval_file
read_outcar
read_outcar_file
read_poscar
reciprocal_lattice
shift_to_origin
xml_vasp
xml_vasp_ASE
xml_vasp_adv
xml_vasp_hse
postproc
postproc
band_gap
planarAverage
planarAverage
grid_data_reading
grid_data_reading_
input_data
isosurface
isosurface
atoms
isosurface
isosurface_
planar_average
planar_average_
test_planar_average_new
v0pt4_stable
v0pt4_stable
grid_data_reading
input_data
planar_average
v0pt6_this
v0pt6_this
grid_data_reading
input_data
planar_average
rotateAxisUnitCell
rotateAxisUnitCell
rotate_axis
rotate_axes
vaspin
xtbBag
xtbBag
hessian
xtb_calculator_for_EStA_21012025_v3
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esta.vaspBag.postproc.planarAverage.v0pt4_stable
esta.vaspBag.postproc.planarAverage.v0pt4_stable
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