bug in label generation

src/job.jl

@@ -231,21 +231,32 @@ function sanitize_magnetization!(job::DFJob)
     if !any(x->package(x) == QE, inputs(job))
         return
     end
-    magnetic_uats = filter(ismagnetic, unique(atoms(job)))
-    element_to_magnetization = Dict([element(at) => Vec3{Float64}[] for at in magnetic_uats]...)
-    for at in magnetic_uats
-        magvec = element_to_magnetization[element(at)]
-        mag = magnetization(at)
-        if !in(mag, magvec)
-            push!(magvec, mag)
+    magnetic_ats = filter(ismagnetic, atoms(job))
+    magnetic_elements = map(element, magnetic_ats)
+    for e in magnetic_elements
+        magnetizations = Vec3[]
+        dftus          = DFTU[]
+        for a in magnetic_ats
+            if e == element(a)
+                magid = findfirst(x -> x == magnetization(a), magnetizations)
+                dftuid = findfirst(x-> x == dftu(a), dftus)
+                if magid === nothing
+                    push!(magnetizations, magnetization(a))
+                    tid1 = length(magnetizations)
+                else
+                    tid1 = magid
+                end
+                if dftuid === nothing
+                    push!(dftus, dftu(a))
+                    tid2 = length(dftus)
+                else
+                    tid2 = dftuid
+                end
+                atid = max(tid1, tid2)
+                a.name = Symbol(string(e.symbol)*"$atid")
+            end
         end
     end
-
-    for at in filter(ismagnetic, atoms(job))
-        el = element(at)
-        id = findfirst(x -> x==magnetization(at), element_to_magnetization[el])
-        at.name = Symbol(string(el.symbol)*"$id")
-    end
 end
 
 function sanitize_projections!(job::DFJob)