diff --git a/src/DIFFRACTION/compute_xrd.cpp b/src/DIFFRACTION/compute_xrd.cpp index 426248b31e..2ee23c489c 100644 --- a/src/DIFFRACTION/compute_xrd.cpp +++ b/src/DIFFRACTION/compute_xrd.cpp @@ -261,7 +261,7 @@ void ComputeXRD::init() double ang = 0.0; double convf = 360 / MY_PI; - if (radflag ==1) convf = 1; + if (radflag == 1) convf = 2; int n = 0; for (int m = 0; m < mmax; m++) {