diff --git a/src/dftbp/dftbplus/parser.F90 b/src/dftbp/dftbplus/parser.F90 index 222b6a41ea..cc97ab9f3b 100644 --- a/src/dftbp/dftbplus/parser.F90 +++ b/src/dftbp/dftbplus/parser.F90 @@ -1400,13 +1400,14 @@ subroutine readDFTBHam(node, ctrl, geo, slako, poisson, errStatus) call setUnprocessed(value1) do iSp1 = 1, geo%nSpecies do iSp2 = 1, geo%nSpecies - strTmp = trim(geo%speciesNames(iSp1)) // "-" & - &// trim(geo%speciesNames(iSp2)) + strTmp = trim(geo%speciesNames(iSp1)) // "-" // trim(geo%speciesNames(iSp2)) call init(lStr) call getChildValue(child, trim(strTmp), lStr, child=child2) if (len(lStr) /= len(angShells(iSp1)) * len(angShells(iSp2))) then - call detailedError(child2, "Incorrect number of Slater-Koster & - &files") + write(errorStr, "(A,I0,A,I0)")"Incorrect number of Slater-Koster files for " //& + & trim(strTmp) // ", expected ", len(angShells(iSp1)) * len(angShells(iSp2)),& + & " but received ", len(lStr) + call detailedError(child2, errorStr) end if do ii = 1, len(lStr) call get(lStr, strTmp, ii)