diff --git a/libhreels/mod_doeels.mod b/libhreels/mod_doeels.mod new file mode 100644 index 0000000000000000000000000000000000000000..b3eaf47f6869cd2ff0f442a0d0914c8c68f63f7d Binary files /dev/null and b/libhreels/mod_doeels.mod differ diff --git a/libhreels/myEels20.cpython-38-x86_64-linux-gnu.so b/libhreels/myEels20.cpython-38-x86_64-linux-gnu.so index dcb69b0d97b9e04ad9db972c13d186e86da59d08..460102642cafaf6be9c69dbbb3852708c99e6743 100755 Binary files a/libhreels/myEels20.cpython-38-x86_64-linux-gnu.so and b/libhreels/myEels20.cpython-38-x86_64-linux-gnu.so differ diff --git a/libhreels/myEels20.f90 b/libhreels/myEels20.f90 index a91925b231af858fc363684c704c78055570e483..73fbba9bba16c876d06554e43413bdb43ab0c1a6 100755 --- a/libhreels/myEels20.f90 +++ b/libhreels/myEels20.f90 @@ -982,7 +982,7 @@ subroutine seteps(nos, osc_size, osc, epsinf, wn, nLayer, eps) deno =deno * (osc(1,j)**2 - wn * dcmplx( wn, osc(3,j) ) ) else if (osc(1,j) < 0.) then! Negative TO mode means: _Additive_ Lorentz oscillator with Q - addeps = addeps + osc(1,j)**2 * osc(2,j) /dcmplx(osc(1,j)**2 + wn2, wn*osc(3,j)) + addeps = addeps + osc(1,j)**2 * osc(2,j) /dcmplx(osc(1,j)**2 - wn2, wn*osc(3,j)) else ! osc(1,j) = 0 -> it is a Drude term addeps = addeps - dcmplx(osc(1,j+m)**2, wn*(osc(3,j)-osc(3,j+m))) /dcmplx(wn2, wn*osc(3,j)) diff --git a/pyproject.toml b/pyproject.toml index aa8895ad8b5e175302b8ed140943d3a960c678da..eb153fcb04d7a853542e80c2c53915fa675f6df5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [tool.poetry] name = "libhreels" -version = "2.0.3" +version = "2.1.0" description = "Handling, simulating, and plotting HREELS and Auger spectroscopy data" authors = ["Wolf Widdra <wolf.widdra@physik.uni-halle.de>"] include = ["*./libhreels/*"]