gftool.cpa
Coherent cluster approximation (CPA) to substitutional disorder.
For a high-level interface use solve_root
to solve the CPA problem for
arbitrary frequencies z.
Solutions for fixed occupation occ can be obtained on the imaginary axis only
using solve_fxdocc_root
.
Fixed occupation on the real axis is currently not support. We recommend
obtaining the chemical potential mu for the given occ using
solve_fxdocc_root
on the imaginary axis, and then run solve_root
with the
given mu on the real axis. In fact, we expect this to be more stable than
fixing the charge on the real axis directly.
API
Functions
|
Green's function for the components embedded in self_cpa_z. |
|
Wrap |
|
Fixed-point equation f(Σ)=Σ for CPA. |
|
Root equation r(Σ)=0 for CPA. |
|
Determine the CPA self-energy by solving the root problem for fixed occ. |
|
Determine the CPA self-energy by solving the root problem. |
Classes
|
CPA solution for the self-energy root-equation for fixed occupation. |