diff --git a/README.md b/README.md index 31c6958..d18dd06 100644 --- a/README.md +++ b/README.md @@ -66,14 +66,14 @@ _Using DEHam_ 140 # The largest number of non-zero elements per row (Multiple of Ndet) 1 # The total number of processors used in parallel (Multiple of Ndet) 1 # The number of holes -0 # The isz (nalpha-nbeta-1) (odd spins) value or (nalpha-nbeta) (even spins) +0 # The Sz (nalpha-nbeta-1) (odd spins) value or (nalpha-nbeta) (even spins) true # Restrict the hole to the 1'st (i.e. half of natom) Family of states. *false* for no restrictions 1,2,3,1,2,3,4,5,6,7 # The topology of the system is specified here 2,3,4,8,7,6,5,6,7,8 # first and second line contain the two sites linked -1,1,1,2,2,2,2,3,3,3 # third line contains the type of link (1 for t or J, 2 for K and 3 for none) -.1430,-0.20,0.0000 # The three types of links this line gives J, K -.1430,-0.20,0.0000 # --1.00,0.0,0.00 # This line gives t +1,1,1,2,2,2,2,3,3,3 # third line contains the type of link (1 for t or J, 2 for K and 3 for J in the second 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 2 # The total number of roots 1 # I The position of the first