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Performance of EH Hamiltonian
Performance of EH Hamiltonian
Performance of EH Hamiltonian
Problem/Objective:
Benchmark EH against another TB strain solver to determine the performance of the band structure calculation in EH.
Approach:
A 7x7x7 silicon super cell was used to perform a Schrodinger simulation for TB and EH.
The simulation was computed on a single k-point under a hydrostatic strain.
Results:
EH implementation is as fast as TB even though it has a larger interaction radius (1nm).
The simulation was computed on a single k-point under a hydrostatic strain.