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missed some

This commit is contained in:
Janosh Riebesell 2025-02-05 05:47:27 -05:00
parent 692dcce073
commit 9145e47ea1
11 changed files with 23 additions and 23 deletions
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2
doc/command-options.md
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@ -721,7 +721,7 @@ out, i.e., `gamma` is still imaginary part of self energy of ph-ph scattering.
A most simple phonon boundary scattering treatment is included. $v_g/L$ is just
used as the scattering rate, where $v_g$ is the group velocity and $L$ is the
boundary mean free path. The value is given in micrometre. The default value, 1
boundary mean free path. The value is given in micrometer. The default value, 1
metre, is just used to avoid divergence of phonon lifetime and the contribution
to the thermal conductivity is considered negligible.

2
doc/cutoff-pair.md
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@ -25,7 +25,7 @@ In phono3py, to obtain supercell-fc3,
$\Phi_{\alpha\beta\gamma}(jl, j'l', j''l'')$, forces in many
supercells having different pairs of displaced atoms are computed
using some force-calculator such as ab-initio code. In the phono3py
default behaviour, full elements of supercell-fc3 are computed. In
default behavior, full elements of supercell-fc3 are computed. In
this case, though depending on the number of atoms in the supercell
and the crystal symmetry, the number of atomic-pair configuration can
be huge and beyond our computational resource.

2
doc/hdf5_howto.md
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@ -269,7 +269,7 @@ has to be specified (see {ref}`full_pp_option`).
### boundary_mfp
A value specified by {ref}`boundary_mfp_option`. The physical unit is
micrometre.
micrometer.
When `--boundary-mfp` option is explicitly specified, its value is stored here.

2
doc/phono3py-load.md
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@ -9,7 +9,7 @@ over many different force calculators. Once `phono3py_disp.yaml` is created, the
following operations will be the same using this command.
This is used almost in the same way as `phono3py` command, e.g., but there are
some differences. The following default behaviours are different from that of
some differences. The following default behaviors are different from that of
those of `phono3py` command:
1. `phono3py_xxx.yaml` type file is always necessary in either of two ways:

4
phono3py/api_phono3py.py
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@ -1947,7 +1947,7 @@ class Phono3py:
is_isotope: bool = False,
mass_variances: Optional[Sequence] = None,
grid_points: Optional[Sequence[int]] = None,
boundary_mfp: Optional[float] = None, # in micrometre
boundary_mfp: Optional[float] = None, # in micrometer
solve_collective_phonon: bool = False,
use_ave_pp: bool = False,
is_reducible_collision_matrix: bool = False,
@ -1997,7 +1997,7 @@ class Phono3py:
for thermal conductivity are set internally.
shape(num_grid_points, ), dtype='int64'.
boundary_mfp : float, optional, default is None
Mean free path in micrometre to calculate simple boundary
Mean free path in micrometer to calculate simple boundary
scattering contribution to thermal conductivity.
None ignores this contribution.
solve_collective_phonon : bool, optional, default is False

4
phono3py/conductivity/base.py
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@ -921,12 +921,12 @@ class ConductivityBase(ABC):
if self._boundary_mfp is not None:
if self._boundary_mfp > 1000:
print(
"Boundary mean free path (millimetre): %.3f"
"Boundary mean free path (millimeter): %.3f"
% (self._boundary_mfp / 1000.0)
)
else:
print(
"Boundary mean free path (micrometre): %.5f"
"Boundary mean free path (micrometer): %.5f"
% self._boundary_mfp
)
if self._is_isotope:

8
phono3py/conductivity/direct_solution.py
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@ -77,11 +77,11 @@ class ConductivityLBTEBase(ConductivityBase):
sigma_cutoff=None,
is_isotope=False,
mass_variances=None,
boundary_mfp=None, # in micrometre
boundary_mfp=None, # in micrometer
solve_collective_phonon=False,
is_reducible_collision_matrix=False,
is_kappa_star=True,
gv_delta_q=None, # finite difference for group veolocity
gv_delta_q=None, # finite difference for group velocity
is_full_pp=False,
read_pp=False,
pp_filename=None,
@ -1700,7 +1700,7 @@ def get_thermal_conductivity_LBTE(
is_isotope=False,
mass_variances=None,
grid_points=None,
boundary_mfp=None, # in micrometre
boundary_mfp=None, # in micrometer
solve_collective_phonon=False,
is_reducible_collision_matrix=False,
is_kappa_star=True,
@ -1731,7 +1731,7 @@ def get_thermal_conductivity_LBTE(
if sigmas is None:
sigmas = []
if log_level:
print("-" * 19 + " Lattice thermal conducitivity (LBTE) " + "-" * 19)
print("-" * 19 + " Lattice thermal conductivity (LBTE) " + "-" * 19)
print(
"Cutoff frequency of pseudo inversion of collision matrix: %s" % pinv_cutoff
)

12
phono3py/conductivity/rta.py
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@ -76,7 +76,7 @@ class ConductivityRTABase(ConductivityBase):
sigma_cutoff=None,
is_isotope=False,
mass_variances=None,
boundary_mfp=None, # in micrometre
boundary_mfp=None, # in micrometer
use_ave_pp=False,
is_kappa_star=True,
gv_delta_q=None,
@ -539,7 +539,7 @@ class ConductivityRTA(ConductivityMixIn, ConductivityRTABase):
sigma_cutoff=None,
is_isotope=False,
mass_variances=None,
boundary_mfp=None, # in micrometre
boundary_mfp=None, # in micrometer
use_ave_pp=False,
is_kappa_star=True,
gv_delta_q=None,
@ -669,7 +669,7 @@ class ConductivityWignerRTA(ConductivityWignerMixIn, ConductivityRTABase):
sigma_cutoff=None,
is_isotope=False,
mass_variances=None,
boundary_mfp=None, # in micrometre
boundary_mfp=None, # in micrometer
use_ave_pp=False,
is_kappa_star=True,
gv_delta_q=None,
@ -867,7 +867,7 @@ class ConductivityKuboRTA(ConductivityKuboMixIn, ConductivityRTABase):
sigma_cutoff=None,
is_isotope=False,
mass_variances=None,
boundary_mfp=None, # in micrometre
boundary_mfp=None, # in micrometer
use_ave_pp=False,
is_kappa_star=True,
gv_delta_q=None,
@ -1010,7 +1010,7 @@ def get_thermal_conductivity_RTA(
mass_variances=None,
grid_points=None,
is_isotope=False,
boundary_mfp=None, # in micrometre
boundary_mfp=None, # in micrometer
use_ave_pp=False,
is_kappa_star=True,
gv_delta_q=None,
@ -1046,7 +1046,7 @@ def get_thermal_conductivity_RTA(
if log_level:
print(
"-------------------- Lattice thermal conducitivity (RTA) "
"-------------------- Lattice thermal conductivity (RTA) "
"--------------------"
)

2
phono3py/cui/load.py
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@ -112,7 +112,7 @@ def load(
When force_sets_filename and force_constants_filename are not given,
'FORCES_FC3' and 'FORCES_FC2' are looked for in the current directory as the
default behaviour. When 'FORCES_FC3' ('FORCES_FC2') is given in the type-1
default behavior. When 'FORCES_FC3' ('FORCES_FC2') is given in the type-1
format, 'phono3py_disp.yaml' is also necessary and read.
Crystal structure

4
phono3py/cui/phono3py_argparse.py
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@ -105,7 +105,7 @@ def get_parser(fc_symmetry=False, is_nac=False, load_phono3py_yaml=False):
type=float,
default=None,
help=(
"Boundary mean free path in micrometre for thermal conductivity calculation"
"Boundary mean free path in micrometer for thermal conductivity calculation"
),
)
parser.add_argument(
@ -264,7 +264,7 @@ def get_parser(fc_symmetry=False, is_nac=False, load_phono3py_yaml=False):
# dest="emulate_v2",
# action="store_true",
# default=False,
# help="Emulate v2.x behaviour.",
# help="Emulate v2.x behavior.",
# )
parser.add_argument(
"--factor",

4
phono3py/cui/settings.py
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@ -42,7 +42,7 @@ class Phono3pySettings(Settings):
"""Setting parameter container."""
_default = {
# In micrometre. The default value is just set to avoid divergence.
# In micrometer. The default value is just set to avoid divergence.
"boundary_mfp": 1.0e6,
"conductivity_type": None,
"constant_averaged_pp_interaction": None,
@ -879,7 +879,7 @@ class Phono3pyConfParser(ConfParser):
if "cutoff_pair_distance" in params:
self._settings.set_cutoff_pair_distance(params["cutoff_pair_distance"])
# Emulate v2.x behaviour
# Emulate v2.x behavior
if "emulate_v2" in params:
self._settings.set_emulate_v2(params["emulate_v2"])