Chemical Potential Input Options
Asked by
Adam Bruce
The manual gives an example of the TS.ChemPot block as
%block TS.ChemPot.Left
mu V/2
contour.eq
begin
C-Left
T-Left
end
%endblock
using bias range of -V/2 to V/2. Would changing the range to 0 to V have an effect on the Contour blocks? For instance, if I set
%block TS.ChemPot.Left
mu 0.1
contour.eq
begin
C-Left
T-Left
end
%endblock
%block TS.ChemPot.Right
mu 0.0
contour.eq
begin
C-Right
T-Right
end
%endblock
%block TBT.Contour.line
from -0.1 eV to 0.1 eV
delta 0.001 eV
method mid-rule
%endblock TBT.Contour.line
would this yield a difference integral than if I used a bias range of -.05 to .05?
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