gedaskir / qmeq Goto Github PK

Not sure if this is still being maintained but thought I'd share the problem anyway in the hope of some help!

I'm trying to access particular many body states and have been having trouble with the ordering, with it appearing to order the occupation strings incorrectly. In the simplest case, I start with an already diagonalised Hamiltonian with five eigenstates all at different energies (just inputting hsingle as a diagonal matrix with entries {1,2,3,4,5} ). Using the 'Lin' indexing, solving, and then printing all the states,

so the 11th state works with "01011" = 11 , but the 12th state has "10001" = 17, instead of "01100" (which is now at the 17th entry). The associated energy shows that it is referring to the state with the 5th and first eigenstate occupied rather than the third and fourth. There are also another three entries which do not correspond to the string I assumed they would be (14, 19, 21). For four or less sites, there are no issues.

Is this the intended ordering? Any response would be greatly appreciated!

Line 795 in qdot.py updates self.hsingle instead of self.coulomb.