qimpy.dft.electrons.xc.PlusU

class PlusU(*, checkpoint_in=(None, ''), **U_values)

DFT+U correction.

Parameters:

__init__(*, checkpoint_in=(None, ''), **U_values)

Initialize from components and/or dictionary of options.

Parameters:

U_values (float) –
[Input file] Dictionary of U values by species and orbital names. For example, to add U to Cu d and O s and p, the yaml input would be:
```
plus_U:
  Cu d: 2.4 eV
  O s: 0.1 eV
  O p: 0.7 eV
```
checkpoint_in (CheckpointPath)

Return type:

None

Methods

`__init__`	Initialize from components and/or dictionary of options.
`add_child`	Construct child object self.`attr_name` of type cls.
`add_child_one_of`	Invoke add_child on one of several child options in args.
`save_checkpoint`	Save self and all children in hierarchy to cp_path.

Attributes

`U_values`	map specie, orbital -> U value
`child_names`	Names of attributes with child objects.
`variant_name`	Version of children having variants (if any)