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

libxc-git @ 3cb2231a

-Subproject commit ca6f7114b9fffe0964ca9e8d24e09ef15b300316
+Subproject commit 3cb2231abf1d47fbd8b3e21c8478e9f26a73ce5f

external/xml2/install_xml2.sh

@@ -7,7 +7,7 @@ then
     tar xzf libxml2-${libxml2_version}.tar.gz
     cd libxml2-${libxml2_version}
     #Compile&test (This will take a while)
-    ./configure  --disable-shared
+    ./configure  --disable-shared --without-python
     make 
 else
     cd libxml2-${libxml2_version}    

io/r_inpXML.F90

@@ -2243,12 +2243,12 @@ input%preconditioning_param = evaluateFirstOnly(xmlGetAttributeValue('/fleurInpu
          ALLOCATE(t_xcpot_inbuild::xcpot)
       ENDIF
 
+      xcpot%kinED%set = .FALSE.
       SELECT TYPE(xcpot)
       TYPE IS(t_xcpot_inbuild)
          CALL xcpot%init(namex(1:4),relcor,atoms%ntype)
       TYPE IS(t_xcpot_libxc)
          CALL xcpot%init(jspins,vxc_id_x,vxc_id_c,exc_id_x,exc_id_c)
-
       END SELECT
 
       CALL set_xcpot_usage(xcpot)

main/fleur_init.F90

@@ -144,6 +144,10 @@
           input%scaleA1 = 1.0
           input%scaleA2 = 1.0
           input%scaleC = 1.0
+          input%forcealpha = 1.0
+          input%forcemix = 0
+          input%epsdisp = 0.00001
+          input%epsforce = 0.00001
 
           kpts%ntet = 1
           kpts%numSpecialPoints = 1