[Wannier] question on hr_dat element for BaTiO3_example
wasim mondal
pikuwww.mondal at gmail.com
Mon Jun 3 19:59:47 CEST 2013
Dear wannier90 experts,
I am new user of wannier90. I have the following two questions:
(1) I have constructed hr_dat file after running BaTiO3_example. I have got
all the matrix element real and matrix dimension is 9*9.
Do the off-diagonal element of the matrix represent hoping ?
Do the diagonal element of the matrix represent orbital-energy?
Do the diagonal element of the matrix represent hopping and orbital
energy both?
If yes , how can I get orbital energy ?
(2)Now the size of the Hamiltonian is 9*9. Can I decrease the size of
Hamiltonian matrix ?
Please help me.
Regards
wasim
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