fixed problem in x-ray emission calculations


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@13458 bac0169d-1eea-4375-b5f6-f89d2ced9994
 x-ray emission calculations


git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@13459 bac0169d-1eea-4375-b5f6-f89d2ced9994