Fadjar Fathurrahman
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Fadjar Fathurrahman
As this format also used in PWSCF this will make easier to compare the results.
List of some possible cases: - Calculation of `Rhoe`: ```julia function calc_rhoe!(Ham::Hamiltonian, psiks::BlochWavefunc, Rhoe::Array{Float64,2}) # Rhoe will be updated with new calculated Rhoe end ``` - Diagonalization routines: all work...
optimization