tepkit.io.vasp.ExplicitKpoints

class tepkit.io.vasp.ExplicitKpoints(mode: str | Kpoints, kpts: tepkit.utils.typing_tools.NumpyArrayNx3[float] | list[list[float]], kpts_weights: tepkit.utils.typing_tools.NumpyArray[float] | list[float], comment: str = 'KPOINTS')

Bases: Kpoints

Ref: - https://www.vasp.at/wiki/index.php/KPOINTS

Attributes

Attribute	Default Value	Description
comment	None	The 1st line: The comment line.
coordinates_mode	None	The coordinate mode. Cartesian or Reciprocal.
kpts	None
kpts_weights	None
b_lattice	None

Properties

num_kpts
df

Methods

from_string(→ tepkit.utils.typing_tools.Self)	从字符串中读取结构化数据。
__str__()
get_pymatgen_kpoints()
__add__(other)
plot([ax, show, save_path])
show()

All Members

comment

The 1st line: The comment line.

coordinates_mode: Kpoints

The coordinate mode. Cartesian or Reciprocal.

kpts: NumpyArrayNx3[float]

kpts_weights: NumpyArray[float]

b_lattice = None

property num_kpts: int

property df

classmethod from_string(string: str) → Self

从字符串中读取结构化数据。

__str__()

get_pymatgen_kpoints()

__add__(other)

plot(ax=None, show=False, save_path=None)

show()