&input atom='Zr' iswitch=2 dft='PBE' rel=1, config='[Kr] 5s2 5p0 4d2' / &test file_pseudo='Zr-q12.UPF', file_pseudopw='Zr.wfc.UPF', nconf=1 configts(1)='4s2 4p6 5s2 5p0 4d2' /