diff --git a/src/apps/molresponse/FrequencyResponse.cpp b/src/apps/molresponse/FrequencyResponse.cpp index eb7b09e25d1..76b77f24b67 100644 --- a/src/apps/molresponse/FrequencyResponse.cpp +++ b/src/apps/molresponse/FrequencyResponse.cpp @@ -272,7 +272,7 @@ auto FrequencyResponse::update_response(World &world, X_space &chi, XCOperator= 0) {// & (iteration % 3 == 0)) { + if (iteration >= 0 && iteration