pyprocar.lobsterparser package¶
Submodules¶
pyprocar.lobsterparser.lobsterparser module¶
Created on Thu Jun 25 03:12:50 2020 @author: Logan Lang
-
class
pyprocar.lobsterparser.lobsterparser.
LobsterParser
(lobsterin='lobsterin', lobsterout='lobsterout', scfin='scf.in', outfile='scf.out', kdirect=True, lobstercode='qe')[source]¶ Bases:
object
- Attributes
-
property
fermi
¶ Returns the fermi energy read from .out
-
property
reclat
¶ Returns the reciprocal lattice read from .out
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spd
¶ - for l=1:
1 pz (m=0) 2 px (real combination of m=+/-1 with cosine) 3 py (real combination of m=+/-1 with sine)
- for l=2:
1 dz2 (m=0) 2 dzx (real combination of m=+/-1 with cosine) 3 dzy (real combination of m=+/-1 with sine) 4 dx2-y2 (real combination of m=+/-2 with cosine) 5 dxy (real combination of m=+/-2 with sine)