Skip to content

Commit

Permalink
Repair the bugs of PhononPotential and DMPhonon.
Browse files Browse the repository at this point in the history
  • Loading branch information
@waltergu
waltergu committed Mar 2, 2022
1 parent 7b8bb8b commit 9876e75
Show file tree
Hide file tree
Showing 2 changed files with 43 additions and 20 deletions.
19 changes: 10 additions & 9 deletions src/Essentials/QuantumSystems.jl
View file
Original file line number Diff line number Diff line change
Expand Up @@ -1143,14 +1143,15 @@ struct PPExpand{N, P<:AbstractPID, D<:Number} <: CartesianVectorSpace{Tuple{D, I
direction::SVector{N, D}
points::NTuple{2, Point{N, P, D}}
end
@inline shape(pnce::PPExpand) = (1:length(pnce.direction), 1:3)
function Tuple(index::CartesianIndex{2}, pnce::PPExpand)
dir = Char(Int('x')+index[1]-1)
coeff = index[2]==2 ? -2 : 1
pos₁, pos₂ = index[2]==1 ? (1, 1) : index[2]==2 ? (1, 2) : (2, 2)
oid₁ = OID(Index(pnce.points[pos₁].pid, NID('u', dir)), pnce.points[pos₁].rcoord, pnce.points[pos₁].icoord)
oid₂ = OID(Index(pnce.points[pos₂].pid, NID('u', dir)), pnce.points[pos₂].rcoord, pnce.points[pos₂].icoord)
return (pnce.direction[index[1]])^2*coeff, ID(oid₁, oid₂)
@inline shape(pnce::PPExpand) = (1:length(pnce.direction), 1:length(pnce.direction), 1:4)
function Tuple(index::CartesianIndex{3}, pnce::PPExpand)
dir₁ = Char(Int('x')+index[1]-1)
dir₂ = Char(Int('x')+index[2]-1)
coeff = index[3]∈(1, 4) ? 1 : -1
pos₁, pos₂ = index[3]==1 ? (1, 1) : index[3]==2 ? (1, 2) : index[3]==3 ? (2, 1) : (2, 2)
oid₁ = OID(Index(pnce.points[pos₁].pid, NID('u', dir₁)), pnce.points[pos₁].rcoord, pnce.points[pos₁].icoord)
oid₂ = OID(Index(pnce.points[pos₂].pid, NID('u', dir₂)), pnce.points[pos₂].rcoord, pnce.points[pos₂].icoord)
return pnce.direction[index[1]]*pnce.direction[index[2]]*coeff, ID(oid₁, oid₂)
end

"""
Expand Down Expand Up @@ -1231,7 +1232,7 @@ Expand the default DM magnon-phonon coupling on a given bond.
function expand(dmp::Coupling{<:Number, <:Tuple{NID{Symbol}, SID{wildcard, Int, Symbol}}}, bond::Bond, hilbert::Hilbert, info::Val{:DMPhonon})
R̂, a = rcoord(bond)/norm(rcoord(bond)), norm(rcoord(bond))
phonon, spin = couplinginternals(dmp, bond, hilbert, info)
@assert phonon.ndir==length(R̂)==2 "expand error: mismatched number of directions."
@assert phonon.ndir==length(R̂) "expand error: mismatched number of directions."
@assert isapprox(dmp.value, 1, atol=atol, rtol=rtol) "expand error: wrong coefficient of DM magnon-phonon coupling."
@assert dmp.cid[1].tag=='u' && dmp.cid[2].orbital==1 && spin.norbital==1 "expand error: not supported expansion of DM magnon-phonon coupling."
return DMPExpand{totalspin(spin)}(totalspin(spin)/a, R̂, (bond.epoint, bond.spoint))
Expand Down
44 changes: 33 additions & 11 deletions test/Essentials/QuantumSystems.jl
View file
Original file line number Diff line number Diff line change
Expand Up @@ -818,13 +818,23 @@ end
bond = Bond(1, Point(PID(2), [0.5, 0.0], [0.0, 0.0]), Point(PID(1), [0.0, 0.0], [0.0, 0.0]))
hilbert = Hilbert(pid=>Phonon(2) for pid in [bond.epoint.pid, bond.spoint.pid])
ex = expand(pnc, bond, hilbert, Val(:PhononPotential))
@test shape(ex) == (1:2, 1:3)
@test shape(ex) == (1:2, 1:2, 1:4)
@test collect(ex) ==[
(+1.0, (OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]))),
(-0.0, (OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]))),
(-0.0, (OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]))),
(+0.0, (OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]))),
(-2.0, (OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]))),
(+0.0, (OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.0], [0.0, 0.0]))),
(-1.0, (OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]))),
(+0.0, (OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]))),
(+0.0, (OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.0], [0.0, 0.0]))),
(-0.0, (OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.0], [0.0, 0.0]))),
(-1.0, (OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]))),
(+0.0, (OID(Index(PID(2), NID('u', 'y')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]))),
(+0.0, (OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]))),
(-0.0, (OID(Index(PID(2), NID('u', 'y')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]))),
(+1.0, (OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]))),
(-0.0, (OID(Index(PID(2), NID('u', 'y')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]))),
(-0.0, (OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.0], [0.0, 0.0]))),
(+0.0, (OID(Index(PID(2), NID('u', 'y')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.0], [0.0, 0.0])))
]

Expand Down Expand Up @@ -855,29 +865,41 @@ end
hilbert = Hilbert(pid=>Phonon(2) for pid in [bond.epoint.pid, bond.spoint.pid])
operators = Operators(
Operator(+2.0, OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0])),
Operator(-4.0, OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0])),
Operator(+2.0, OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0])),
Operator(-2.0, OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0])),
Operator(-2.0, OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0])),
Operator(+2.0, OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.0], [0.0, 0.0]))
)
@test expand(term, bond, hilbert) == operators

bond = Bond(1, Point(PID(2), [0.0, 0.5], [0.0, 0.0]), Point(PID(1), [0.0, 0.0], [0.0, 0.0]))
hilbert = Hilbert(pid=>Phonon(2) for pid in [bond.epoint.pid, bond.spoint.pid])
operators = Operators(
Operator(+2.0, OID(Index(PID(2), NID('u', 'y')), [0.0, 0.5], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.0, 0.5], [0.0, 0.0])),
Operator(+2.0, OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0])),
Operator(-4.0, OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.0, 0.5], [0.0, 0.0])),
Operator(+2.0, OID(Index(PID(2), NID('u', 'y')), [0.0, 0.5], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.0, 0.5], [0.0, 0.0]))
Operator(-2.0, OID(Index(PID(2), NID('u', 'y')), [0.0, 0.5], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0])),
Operator(-2.0, OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.0, 0.5], [0.0, 0.0]))
)
@test expand(term, bond, hilbert) == operators

bond = Bond(1, Point(PID(2), [0.5, 0.5], [0.0, 0.0]), Point(PID(1), [0.0, 0.0], [0.0, 0.0]))
hilbert = Hilbert(pid=>Phonon(2) for pid in [bond.epoint.pid, bond.spoint.pid])
operators = Operators(
Operator(+1.0, OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0])),
Operator(-1.0, OID(Index(PID(2), NID('u', 'x')), [0.5, 0.5], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0])),
Operator(-1.0, OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0])),
Operator(-1.0, OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.5], [0.0, 0.0])),
Operator(-1.0, OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.5], [0.0, 0.0])),
Operator(-1.0, OID(Index(PID(2), NID('u', 'x')), [0.5, 0.5], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0])),
Operator(-1.0, OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0])),
Operator(+1.0, OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0])),
Operator(-1.0, OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0])),
Operator(+1.0, OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0])),
Operator(-2.0, OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.5], [0.0, 0.0])),
Operator(-2.0, OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0])),
Operator(+1.0, OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0])),
Operator(+1.0, OID(Index(PID(1), NID('u', 'y')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0])),
Operator(+1.0, OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.5], [0.0, 0.0])),
Operator(+1.0, OID(Index(PID(2), NID('u', 'x')), [0.5, 0.5], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'x')), [0.5, 0.5], [0.0, 0.0])),
Operator(+1.0, OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0]))
Operator(-1.0, OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0])),
Operator(+1.0, OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0]), OID(Index(PID(1), NID('u', 'x')), [0.0, 0.0], [0.0, 0.0])),
Operator(+1.0, OID(Index(PID(2), NID('u', 'x')), [0.5, 0.5], [0.0, 0.0]), OID(Index(PID(2), NID('u', 'y')), [0.5, 0.5], [0.0, 0.0]))
)
@test expand(term, bond, hilbert) ≈ operators
end
Expand Down

0 comments on commit 9876e75

Please sign in to comment.