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Merge branch 'master' of ssh://github.com/v1j4y/DEHam

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v1j4y 2023-02-23 18:29:22 +01:00
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@ -72,19 +72,19 @@ true # Restrict the hole to the 1'st (i.e. half of natom) Family of states.
.1430,-0.20,0.0000 # The three types of links this line gives J, K, J2 along x axis .1430,-0.20,0.0000 # The three types of links this line gives J, K, J2 along x axis
.1430,-0.20,0.0000 # The three types of links this line gives J, K, J2 along y axis .1430,-0.20,0.0000 # The three types of links this line gives J, K, J2 along y axis
-1.00,0.0,0.00 # This line gives t -1.00,0.0,0.00 # This line gives t
0.,0.,0.,0.,0.,0.,0.,0.,0. # Energy of each orbital + one extra term 0.,0.,0.,0.,0.,0.,0.,0.,0. # Energy of each orbital + *one extra term*
2 # The total number of roots 2 # The total number of roots
1 # I The position of the first 1 # I a1 The position of the first
1 # I SBox 1 # I a2 SBox (starts from 0 )
1 # I 1 # I b1
1 # I 1 # I b2
1 # II The positions of the second 1 # II The positions of the second
1 # II SBox 1 # II SBox (starts from 0)
1 # II 1 # II
1 # II 1 # II
1 # III 1 # III
1 # III The positions of the third 1 # III The positions of the third
1 # III SBox 1 # III SBox (starts from 0)
1 # III 1 # III
1 # positio of the hole 1 # positio of the hole
0 # fix the position of the first hole during the CI 0 # fix the position of the first hole during the CI
@ -108,7 +108,7 @@ t-J Hamiltonians.
![](https://raw.githubusercontent.com/v1j4y/DEHam/master/notebooks/graph.png) ![](https://raw.githubusercontent.com/v1j4y/DEHam/master/notebooks/graph.png)
_Publications using this code_ _Research using this code please cite the following publication_
------------------------------- -------------------------------
1. High-Spin Chains and Crowns from Double-Exchange Mechanism [doi:10.3390/cryst6040039](http://www.dx.doi.org/10.3390/cryst6040039) 1. High-Spin Chains and Crowns from Double-Exchange Mechanism [doi:10.3390/cryst6040039](http://www.dx.doi.org/10.3390/cryst6040039)