py-sc-fermi
latest
contents
Installation
Usage notes
API tutorial
1. Building a defect system
2. Misc.
DefectSystem
analysis
3. Applying concentration constraints
CLI tutorial
FAQs
API
py-sc-fermi
API tutorial
Edit on GitHub
API tutorial
1. Building a defect system
the
DefectChargeState
object
the
DefectSpecies
object
the
DOS
object
Putting it all together: the
DefectSystem
object
2. Misc.
DefectSystem
analysis
plot transition level diagrams
plot defect concentrations as a function of temperature
plot defect concentrations as a function of Fermi energy
3. Applying concentration constraints
fixing the concentrations of
DefectSpecies
fixing the concentrations of
DefectChargeStates
introducing an additional fixed concentration defect
Read the Docs
v: latest
Versions
latest
stable
Downloads
On Read the Docs
Project Home
Builds