Package schrodinger :: Package application :: Package matsci :: Package espresso :: Module qeinput :: Class HybridType

Class HybridType

 object --+    
          |    
GenericType --+
              |
             HybridType

Class to generate QE input XML section related to hybrid functional type.

Instance Methods

str

__str__(self)
Return XML from attributes.

Inherited from GenericType (private): _cleanData

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __subclasshook__

Class Variables

DEFAULTS = {'ecutvcut': 0.7, 'exxdiv_treatment': 'vcut_ws', 'q...

Properties

Inherited from object: __class__

Method Details

Return XML from attributes.

Class Variable Details

Value:

{'ecutvcut': 0.7,
 'exxdiv_treatment': 'vcut_ws',
 'qpts_mesh': [1, 1, 1],
 'x_gamma_extrapolation': True}