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