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re-Define DOS #3

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re-Define DOS #3

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65 changes: 24 additions & 41 deletions src/Plotfuncs.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -205,57 +205,40 @@ module Plotfuncs
return pls
end

function plot_DOS(lattice,nk;nbins=100)
dim = lattice.dim
ham = hamiltonian_k(lattice)
n = lattice.numatoms
function get_DOS(Lattice::Lattice; nk = 100, window = [-8.,8.], nw = 150)
dim = Lattice.dim
n = Lattice.numatoms
H = hamiltonian_k(Lattice)

energies = []
kmesh = LinRange(0,1,nk)

if dim == 1
energies = zeros(Float64,n,nk)
dk = 1/(nk-1)
for ik = 1:nk
k = (ik-1)*dk
@inbounds for i in 1:nk
kx = get_position_kspace(Lattice,[kmesh[i]])
energy = dispersion(dim,n,H,[kx])
append!(energies,energy)
end
elseif dim == 2
energies = zeros(Float64,n,nk,nk)
dk1 = 1/(nk-1)
dk2 = 1/(nk-1)
for ik1 = 1:nk
k1 = (ik1-1)*dk1
for ik2 = 1:nk
k2 = (ik2-1)*dk2
kx,ky = get_position_kspace(lattice,[k1,k2])
energy = dispersion(dim,n,ham,[kx,ky])
energies[:,ik1,ik2] = energy[:]

end
@inbounds for i in 1:nk, j in 1:nk
kx,ky = get_position_kspace(Lattice,[kmesh[i],kmesh[j]])
energy = dispersion(dim,n,H,[kx,ky])
append!(energies,energy)
end
elseif dim == 3
energies = zeros(Float64,nk,nk,nk)
dk1 = 1/(nk-1)
dk2 = 1/(nk-1)
dk3 = 1/(nk-1)

for ik1 = 1:nk
k1 = (ik1-1)*dk1
for ik2 = 1:nk
k2 = (ik2-1)*dk2
for ik3=1:nk
k3= (ik3-1)*dk3
kx,ky,kz = get_position_kspace(lattice,[k1,k2,k3])
energy = dispersion(dim,n,ham,[kx,ky,kz])
energies[:,ik1,ik2,ik3] = energy[:]
end

end
@inbounds for i in 1:nk, j in 1:nk, k in 1:nk
kx,ky,kz = get_position_kspace(Lattice,[kmesh[i],kmesh[j],kmesh[k]])
energy = dispersion(dim,n,H,[kx,ky,kz])
append!(energies,energy)
end
end
energies = vec(energies)
# println(energies)
pls = histogram(energies,bins=nbins,normalize=true)

return pls
wmesh = collect(LinRange(window[1],window[2],nw))
w = 0.5*(wmesh[1:end-1] + wmesh[2:end])
hist = fit(Histogram,energies,wmesh)
dos = hist.weights / (length(energies))

return w,dos
end

end