LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-06-29 16:34:53 +02:00
Code Issues Releases Wiki Activity

Correct description of Transformation matrix

Browse Source
This commit is contained in:
hschnait 2020-03-31 15:54:16 +02:00
parent 5f2782980e
commit ec2184259e
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
doc/guide/blockstructure.rst
View File

@ -90,7 +90,7 @@ It is easy to check that the following matrix diagonalises this local Hamiltonia
T_{mm'} = \begin{pmatrix} 1.0 & 0.0 & 0.0 \\0.0 & 1/\sqrt{2} & -1/\sqrt{2}\\0.0 & 1/\sqrt{2} & 1/\sqrt{2} \end{pmatrix}
With this unitary matrix, we can do a basis rotation to reduce the size of the off-diagonal matrix elements. Note that the transformation matrix has to be given in the *solver* basis form (a 3x3 matrix in this case)::
With this unitary matrix, we can do a basis rotation to reduce the size of the off-diagonal matrix elements. Note that the transformation matrix has to be given in the *sumk* basis form (a 3x3 matrix in this case)::
import numpy as np
# Unitary transformation matrix
@ -128,4 +128,4 @@ The Green's function GF4 consists now only of two 1x1 blocks, where *up_1* was t
In summary, we started with a full 3x3 matrix in the very beginning, and ended with two 1x1 blocks containing the relevant matrix elements for the calculation.