mirror of
https://github.com/triqs/dft_tools
synced 2024-11-14 10:03:46 +01:00
23 lines
942 B
Plaintext
23 lines
942 B
Plaintext
density matrix: [[[[ 0.47201054 -0.00000008 0.00000001 -0.00000001 0. ]
|
|
[-0.00000008 0.47098247 0.00000001 -0.00000002 -0.00000001]
|
|
[ 0.00000001 0.00000001 0.48430552 -0. -0.00000005]
|
|
[-0.00000001 -0.00000002 -0. 0.47103117 -0.00000001]
|
|
[ 0. -0.00000001 -0.00000005 -0.00000001 0.48394118]]
|
|
|
|
[[ 0.47781622 -0.00000001 0.00000001 0.00000001 0. ]
|
|
[-0.00000001 0.47677426 0.00000001 -0.00000009 -0.00000001]
|
|
[ 0.00000001 0.00000001 0.48431753 -0. 0.00000005]
|
|
[ 0.00000001 -0.00000009 -0. 0.47672506 -0. ]
|
|
[ 0. -0.00000001 0.00000005 -0. 0.48395325]]]]
|
|
overlap matrix: [[[[ 1. -0. 0. -0. 0.]
|
|
[-0. 1. -0. 0. 0.]
|
|
[ 0. -0. 1. 0. -0.]
|
|
[-0. 0. 0. 1. 0.]
|
|
[ 0. 0. -0. 0. 1.]]
|
|
|
|
[[ 1. -0. -0. -0. 0.]
|
|
[-0. 1. 0. -0. 0.]
|
|
[-0. 0. 1. 0. -0.]
|
|
[-0. -0. 0. 1. -0.]
|
|
[ 0. 0. -0. -0. 1.]]]]
|