PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Public Member Functions | Public Attributes | List of all members
pawpyseed.core.wavefunction.CoreRegion Class Reference

Public Member Functions

def __init__ (self, potcar)
 

Public Attributes

 pps
 

Detailed Description

List of Pseudopotential objects to describe the core region of a structure.

Attributes:
    pps (dict of Pseudopotential): keys are element symbols,
        values are Pseudopotential objects

Constructor & Destructor Documentation

def pawpyseed.core.wavefunction.CoreRegion.__init__ (   self,
  potcar 
)
Returns a new CoreRegion object from a
pymatgen.io.vasp.inputs.Potcar class.

Arguments:
    potcar (pymatgen.io.vasp.inputs.Potcar): Potcar file for
the VASP calculation

Returns:
    CoreRegion object based on potcar

Member Data Documentation

pawpyseed.core.wavefunction.CoreRegion.pps

The documentation for this class was generated from the following file: