casm.vasp.io.CmagspinAttr

class casm.vasp.io.CmagspinAttr(structure_info)

Class containing information specific to Cmagspin dof. This object will be constructed from casm.project.structure.StructureInfo class which digests its information.

self.atom_props: List[Dict] - Contains the list of atom properites (with atom name and it’s value) Look at the example below for detailed description of object properties

Consider the example of NaFeO2 with Fe having a +5 magnetic moment and rest all being 0 self.atom_props: [{“site_index”:0, “atom”: “Na”, “value”:0},{“site_index”:1,”atom”:”Fe”, “value”:5},{“site_index”:2, “atom”:”O”,”value”:0},{“site_index”:3, “atom”:”O”,”value”:0}]

Constructs the CmagspinAttr object from StructureInfo object

Parameters:

structure_info (casm.project.structure.StructureInfo) –

__init__(structure_info)

Constructs the CmagspinAttr object from StructureInfo object

Parameters:

structure_info (casm.project.structure.StructureInfo) –

Methods

__init__(structure_info)	Constructs the CmagspinAttr object from StructureInfo object
vasp_input_tags([sort])	Returns a dictionary of VASP input tags specific to collinear magnetic spin calculations.
vasp_output_dictionary(outcar[, sort])	Returns the attribute specific vasp output dictionary which can be updated to the whole output dictionary which will be printed as properties.calc.json.