Commit adf05139 authored by Matthias Redies's avatar Matthias Redies

Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop

parents 43252a18 64ff6f06
......@@ -738,7 +738,7 @@ input%preconditioning_param = evaluateFirstOnly(xmlGetAttributeValue('/fleurInpu
IF (numberNodes.EQ.1) THEN
IF (xmlGetNumberOfNodes(TRIM(ADJUSTL(xPathA))//'/@b_field')>0) THEN
field%b_field=evaluateFirstOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'//@b_field'))
field%l_b_field=.true.
IF (ABS(field%b_field)>1.E-15) field%l_b_field=.true.
ENDIF
field%efield%zsigma = evaluateFirstOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@zsigma'))
field%efield%sig_b(1) = evaluateFirstOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@sig_b_1'))
......@@ -1494,7 +1494,7 @@ input%preconditioning_param = evaluateFirstOnly(xmlGetAttributeValue('/fleurInpu
socscaleSpecies = evaluateFirstOnly(TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@socscale'))))
IF (xmlGetNumberOfNodes(TRIM(ADJUSTL(xPathA))//'/@b_field_mt')>0) THEN
b_field_mtSpecies=evaluateFirstOnly(TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@b_field_mt'))))
field%l_b_field=.TRUE.
IF (ABS(b_field_mtSpecies)>1E-15) field%l_b_field=.TRUE.
ENDIF
ENDIF
! Explicitely provided core configurations
......
......@@ -58,7 +58,7 @@ contains
WRITE ( 6,FMT=7900) js,inDen%iter,1000*SQRT(ABS(dist(js)/vol))
END DO
IF (abs(dist(6))>1E-15) WRITE (6,FMT=7900) 3,inDen%iter,1000*SQRT(ABS(dist(6)/vol))
IF (SIZE(outden%pw,2)>2) WRITE (6,FMT=7900) 3,inDen%iter,1000*SQRT(ABS(dist(6)/vol))
!calculate the distance of total charge and spin density
!|rho/m(o) - rho/m(i)| = |rh1(o) -rh1(i)|+ |rh2(o) -rh2(i)| +/_
......
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