diff --git a/README.md b/README.md index 7b25a24..2cd6316 100644 --- a/README.md +++ b/README.md @@ -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 y axis -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 -1 # I The position of the first -1 # I SBox -1 # I -1 # I +1 # I a1 The position of the first +1 # I a2 SBox (starts from 0 ) +1 # I b1 +1 # I b2 1 # II The positions of the second -1 # II SBox -1 # II +1 # II SBox (starts from 0) +1 # II 1 # II 1 # III 1 # III The positions of the third -1 # III SBox +1 # III SBox (starts from 0) 1 # III 1 # positio of the hole 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) -_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)