PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Namespaces | Variables
prep.py File Reference

Namespaces

 pawpyseed.analysis.prep
 

Variables

list pawpyseed.analysis.prep.filenames
 
list pawpyseed.analysis.prep.names
 
 pawpyseed.analysis.prep.dpaths
 
list pawpyseed.analysis.prep.defects = ["vac_1_Si", "sub_1_B_on_Si", "sub_1_P_on_Si", "sub_1_Cu_on_Si", "sub_1_S_on_Si"]
 
list pawpyseed.analysis.prep.mathnames
 
list pawpyseed.analysis.prep.charges = [[-2,-1,0,1,2], [-1,0], [0,1], [-1,0,1], [-2,-1,0,1,2,3]]
 
list pawpyseed.analysis.prep.titles = []
 
string pawpyseed.analysis.prep.my_dir = '/home/kyle/Research/projects/researchpapers/pawpyseed/thesis/results/projections'
 
 pawpyseed.analysis.prep.f = open('bandedges2.json', 'r')
 
 pawpyseed.analysis.prep.bandedges = yaml.load(f)
 
 pawpyseed.analysis.prep.be = bandedges[dp]
 
 pawpyseed.analysis.prep.bc = BulkCharacter.from_yaml(fname)
 
 pawpyseed.analysis.prep.efermi
 
 pawpyseed.analysis.prep.vbm
 
 pawpyseed.analysis.prep.cbm
 
 pawpyseed.analysis.prep.name
 
 pawpyseed.analysis.prep.spinpol
 
 pawpyseed.analysis.prep.True
 
 pawpyseed.analysis.prep.title