fix Drude term

- do not multiply with ε∞ (Lambin version of ωp)
- correct the index for more than one layer
- extended Drude not tested yet.

source/f90/seteps.f90

@@ -38,7 +38,7 @@ subroutine seteps(neps, nos, oscType, osc, epsinf, wn, eps, layers)
     addLorentz = dcmplx(0.0, 0.0)
     addDrude = dcmplx(0.0, 0.0)
     do j = 1, nos(i)
-      select case (oscType(i))
+      select case (oscType(k))
         case (Lorentz) ! osc3 is lambda and not gammma
           gamma = osc(1,k) * osc(3,k)
           addLorentz = addLorentz + osc(1,k)**2 * osc(2,k) / dcmplx(osc(1,k)**2 - wn2, -wn * gamma)
@@ -50,12 +50,12 @@ subroutine seteps(neps, nos, oscType, osc, epsinf, wn, eps, layers)
           gamma = osc(1,k) * osc(2,k)
           addDrude = addDrude - osc(1,k)**2 / dcmplx(wn2, wn * gamma)
         case (extendedDrude)    ! osc2 and osc3 are gamma_Plasma and Gamma_0
-          addDrude = addDrude - dcmplx(osc(1,k)**2, wn*(osc(2,j)-osc(3,j))) / dcmplx(wn2, wn * osc(2,j))
+          addDrude = addDrude - dcmplx(osc(1,k)**2, wn*(osc(2,k)-osc(3,k))) / dcmplx(wn2, wn * osc(2,k))
         case default
           write (*,'(A)') '*** Error in oscillator type! ***'
       end select
+      eps(i) = epsinf(i) * (nomi / deno) + addDrude + addLorentz
       k = k + 1
-      eps(i) = epsinf(i) * (nomi / deno + addDrude) + addLorentz
     enddo
   enddo
 

tests/seteps/Summary.txt

@@ -3,12 +3,12 @@
 001       *      1      0            0      0
 002       *      1      0            0      0
 003       *      1      0            0      0
-004       *      0      0            1      1
+004       *      0      0            0      1
 005       *      0      0            0      1
-006       *      1      0            1      1
+006       *      1      0            0      1
 007       *      1      0            0      0
 008       *      1      0            0      0
-009       *      1      0            1      1
+009       *      1      0            0      1
 010       *      1      0            0      0
 011       *      1      0            0      0
 012       *      1      0            0      0
@@ -16,7 +16,7 @@
 014       *      1      0            0      0
 015       *      1      0            0      0
 016       *      1      0            0      0
-017       *      1      0            1      1
+017       *      1      0            0      1
 018       *      1      0            0      0
 019       *      1      0            0      0
 020       *      1      0            0      0