mirror of
https://github.com/triqs/dft_tools
synced 2024-06-01 19:05:28 +02:00
23 lines
942 B
Plaintext
23 lines
942 B
Plaintext
density matrix: [[[[ 0.56016062 0.01202778 -0.00006002 0.00164142 -0.0000189 ]
|
|
[ 0.01202778 0.5465868 0.0000203 -0.00199428 -0.00001706]
|
|
[-0.00006002 0.0000203 0.54446136 0.00006678 -0.00003108]
|
|
[ 0.00164142 -0.00199428 0.00006678 0.48839256 0.00013617]
|
|
[-0.0000189 -0.00001706 -0.00003108 0.00013617 0.54338373]]
|
|
|
|
[[ 0.56260435 0.00750293 -0.00005427 0.00661288 -0.00001657]
|
|
[ 0.00750293 0.53541612 0.0000371 -0.01036245 -0.00004262]
|
|
[-0.00005427 0.0000371 0.54445834 0.0000739 -0.00000814]
|
|
[ 0.00661288 -0.01036245 0.0000739 0.49707557 0.00013642]
|
|
[-0.00001657 -0.00004262 -0.00000814 0.00013642 0.54337993]]]]
|
|
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.]]]]
|