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General Questions and Answers / question on admittance code tutorial
« on: August 27, 2015, 07:49 »
Hi everyone,
I have a question on the admittance code tutorial.
In that code the Hamiltonian is calculated from calculateHamiltonianAndOverlap. But with what bases? tight binding as mentioned in the reference paper at gamma point? In addition, what should i do to improve it for DFT ?
thanks in advanced,
Rose
I have a question on the admittance code tutorial.
In that code the Hamiltonian is calculated from calculateHamiltonianAndOverlap. But with what bases? tight binding as mentioned in the reference paper at gamma point? In addition, what should i do to improve it for DFT ?
thanks in advanced,
Rose