Commit e20fa19f authored by Gregor Michalicek's avatar Gregor Michalicek
Browse files

First steps to add EELS input to inp.xml

parent 541c2e25
......@@ -566,6 +566,7 @@ MODULE m_types
LOGICAL:: tria
LOGICAL:: integ
LOGICAL:: pallst
LOGICAL:: l_eels
LOGICAL:: l_wann
LOGICAL:: secvar
LOGICAL:: evonly(2)
......@@ -1675,6 +1675,7 @@ SUBROUTINE r_inpXML(&
banddos%band = evaluateFirstBoolOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@band'))
banddos%vacdos = evaluateFirstBoolOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@vacdos'))
sliceplot%slice = evaluateFirstBoolOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@slice'))
input%l_eels = evaluateFirstBoolOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@eels'))
input%l_wann = evaluateFirstBoolOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@wannier'))
! Read in optional switches for checks
......@@ -1780,6 +1781,19 @@ SUBROUTINE r_inpXML(&
WRITE(*,*) 'band="T" --> Overriding "dos" and "ndir"!'
! Read in optional EELS input parameters
xPathA = '/fleurInput/output/eels'
numberNodes = xmlGetNumberOfNodes(xPathA)
IF ((input%l_eels).AND.(numberNodes.EQ.0)) THEN
CALL juDFT_error("eels is true but eels parameters are not set!", calledby = "r_inpXML")
IF (numberNodes.EQ.1) THEN
CALL juDFT_error("Reading in eels input not yet implemented!", calledby = "r_inpXML")
! Read in optional Wannier functions parameters
xPathA = '/fleurInput/output/wannier'
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