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@ -66,13 +66,13 @@ _Using DEHam_
140 # The largest number of non-zero elements per row (Multiple of Ndet) 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 total number of processors used in parallel (Multiple of Ndet)
1 # The number of holes 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 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 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 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) 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 .1430,-0.20,0.0000 # The three types of links this line gives J, K, J2 along x axis
.1430,-0.20,0.0000 # .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