Commit 172d6cdf authored by Daniel Wortmann's avatar Daniel Wortmann

Added additional input for special switches in species

parent 778f5a7f
......@@ -1315,9 +1315,12 @@ SUBROUTINE r_inpXML(&
ldaspecies=.FALSE.
socscalespecies=1.0
!WRITE(xPathA,*) '/fleurInput/atomSpecies/species[',iSpecies,']/special'
!ldaSpecies = evaluateFirstBoolOnly(TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@lda'))))
!socscaleSpecies = evaluateFirstOnly(TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@socscale'))))
WRITE(xPathA,*) '/fleurInput/atomSpecies/species[',iSpecies,']/special'
numberNodes = xmlGetNumberOfNodes(TRIM(ADJUSTL(xPathA)))
IF (numberNodes==1) THEN
ldaSpecies = evaluateFirstBoolOnly(TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@lda'))))
socscaleSpecies = evaluateFirstOnly(TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@socscale'))))
ENDIF
! Explicitely provided core configurations
coreConfigPresent = .FALSE.
......
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