Commit 936913d6 authored by Matthias Redies's avatar Matthias Redies

cleanup

parent d7380394
...@@ -1152,10 +1152,8 @@ input%preconditioning_param = evaluateFirstOnly(xmlGetAttributeValue('/fleurInpu ...@@ -1152,10 +1152,8 @@ input%preconditioning_param = evaluateFirstOnly(xmlGetAttributeValue('/fleurInpu
IF(xmlGetNumberOfNodes(TRIM(xPathB) // '/@etot_correlation') == 1) THEN IF(xmlGetNumberOfNodes(TRIM(xPathB) // '/@etot_correlation') == 1) THEN
valueString = TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(xPathB) // '/@etot_correlation'))) valueString = TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(xPathB) // '/@etot_correlation')))
exc_id_c = xc_f03_functional_get_number(TRIM(valueString)) exc_id_c = xc_f03_functional_get_number(TRIM(valueString))
write (*,*) "read exc_id_c"
ELSE ELSE
exc_id_c = vxc_id_c exc_id_c = vxc_id_c
write (*,*) "ignore exc_id_c"
ENDIF ENDIF
#else #else
CALL judft_error("To use libxc functionals you have to compile with libXC support") CALL judft_error("To use libxc functionals you have to compile with libXC support")
......
...@@ -33,8 +33,7 @@ CONTAINS ...@@ -33,8 +33,7 @@ CONTAINS
if(any(kinEnergyDen_RS < eps)) then if(any(kinEnergyDen_RS < eps)) then
write (6,*) " lowest kinetic energy density cutoff = ", minval(kinEnergyDen_RS) write (6,*) " lowest kinetic energy density cutoff = ", minval(kinEnergyDen_RS)
kinEnergyDen_RS = max(kinEnergyDen_RS, eps) kinEnergyDen_RS = max(kinEnergyDen_RS, eps)
write (6,*) " afterwards = ", minval(kinEnergyDen_RS) endif
endif
#else #else
USE m_juDFT_stop USE m_juDFT_stop
......
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