diff --git a/src/Makefile b/src/Makefile
index 9ac6d71..70bab4d 100644
--- a/src/Makefile
+++ b/src/Makefile
@@ -1,5 +1,5 @@
 #-------------------------------------------------------------------------------
-# $Id: Makefile,v 1.54 2008-04-15 01:37:09 fgygi Exp $
+# $Id: Makefile,v 1.55 2008-06-18 03:39:53 fgygi Exp $
 #------------------------------------------------------------------------------
 #
 include $(TARGET).mk
@@ -317,6 +317,10 @@ EnergyFunctional.o: FourierTransform.h XCPotential.h LDAFunctional.h
 EnergyFunctional.o: XCFunctional.h PBEFunctional.h BLYPFunctional.h
 EnergyFunctional.o: NonLocalPotential.h ConfinementPotential.h blas.h
 EnergyFunctional.o: ChargeDensity.h Timer.h Context.h StructureFactor.h
+ExchangeOperator.o: ExchangeOperator.h Sample.h AtomSet.h Context.h Atom.h
+ExchangeOperator.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
+ExchangeOperator.o: SharedFilePtr.h Control.h SlaterDet.h Basis.h Matrix.h
+ExchangeOperator.o: Timer.h FourierTransform.h
 ExtStress.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
 ExtStress.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
 FermiTemp.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
@@ -336,6 +340,7 @@ IonicStepper.o: Species.h
 isodate.o: isodate.h
 jacobi.o: Context.h Matrix.h blas.h
 jade.o: Context.h Matrix.h blas.h Timer.h
+kpgen.o: D3vector.h UnitCell.h
 KpointCmd.o: UserInterface.h D3vector.h Sample.h AtomSet.h Context.h Atom.h
 KpointCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h SharedFilePtr.h
 KpointCmd.o: Control.h
@@ -372,8 +377,7 @@ MDWavefunctionStepper.o: Matrix.h Sample.h AtomSet.h Atom.h ConstraintSet.h
 MDWavefunctionStepper.o: Control.h
 MDWavefunctionStepper.o: WavefunctionStepper.h Timer.h
 MLWFTransform.o: MLWFTransform.h D3vector.h BasisMapping.h Basis.h UnitCell.h
-MLWFTransform.o: Context.h SlaterDet.h Matrix.h Timer.h SharedFilePtr.h
-MLWFTransform.o: jade.h blas.h
+MLWFTransform.o: Context.h SlaterDet.h Matrix.h Timer.h jade.h blas.h
 MLWFTransform.o: D3vector.h BasisMapping.h
 MoveCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
 MoveCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h SharedFilePtr.h
@@ -384,9 +388,9 @@ NetCharge.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
 NetCharge.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
 NonLocalPotential.o: NonLocalPotential.h AtomSet.h Context.h Atom.h
 NonLocalPotential.o: D3vector.h UnitCell.h Basis.h SlaterDet.h Matrix.h
-NonLocalPotential.o: Timer.h SharedFilePtr.h Species.h blas.h
+NonLocalPotential.o: Timer.h Species.h blas.h
 NonLocalPotential.o: AtomSet.h Context.h Atom.h D3vector.h UnitCell.h Basis.h
-NonLocalPotential.o: SlaterDet.h Matrix.h Timer.h SharedFilePtr.h
+NonLocalPotential.o: SlaterDet.h Matrix.h Timer.h
 Nrowmax.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
 Nrowmax.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
 PBEFunctional.o: PBEFunctional.h XCFunctional.h
@@ -495,10 +499,9 @@ SetCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
 SetCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
 sinft.o: sinft.h
 SlaterDet.o: SlaterDet.h Context.h Basis.h D3vector.h UnitCell.h Matrix.h
-SlaterDet.o: Timer.h SharedFilePtr.h FourierTransform.h blas.h
-SlaterDet.o: Base64Transcoder.h
-SlaterDet.o: Context.h Basis.h D3vector.h UnitCell.h Matrix.h Timer.h
+SlaterDet.o: Timer.h FourierTransform.h blas.h Base64Transcoder.h
 SlaterDet.o: SharedFilePtr.h
+SlaterDet.o: Context.h Basis.h D3vector.h UnitCell.h Matrix.h Timer.h
 Species.o: Species.h Context.h spline.h sinft.h
 SpeciesCmd.o: SpeciesCmd.h UserInterface.h Sample.h AtomSet.h Context.h
 SpeciesCmd.o: Atom.h D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
@@ -526,6 +529,9 @@ testBasisMapping.o: Timer.h
 testChargeDensity.o: Context.h Wavefunction.h D3vector.h UnitCell.h
 testChargeDensity.o: SharedFilePtr.h ChargeDensity.h Timer.h SlaterDet.h
 testChargeDensity.o: Basis.h Matrix.h FourierTransform.h
+TestCmd.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
+TestCmd.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
+TestCmd.o: ExchangeOperator.h
 testContext.o: Context.h
 testEnergyFunctional.o: Context.h Sample.h AtomSet.h Atom.h D3vector.h
 testEnergyFunctional.o: UnitCell.h ConstraintSet.h Wavefunction.h
@@ -550,11 +556,11 @@ testreadSample.o: Context.h Sample.h AtomSet.h Atom.h D3vector.h UnitCell.h
 testreadSample.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
 testreadSample.o: SampleReader.h
 testSample.o: Context.h SlaterDet.h Basis.h D3vector.h UnitCell.h Matrix.h
-testSample.o: Timer.h SharedFilePtr.h Sample.h AtomSet.h Atom.h
-testSample.o: ConstraintSet.h Wavefunction.h Control.h
+testSample.o: Timer.h Sample.h AtomSet.h Atom.h ConstraintSet.h
+testSample.o: Wavefunction.h SharedFilePtr.h Control.h
 test_sinft.o: sinft.h readTSC.h
 testSlaterDet.o: Context.h SlaterDet.h Basis.h D3vector.h UnitCell.h Matrix.h
-testSlaterDet.o: Timer.h SharedFilePtr.h FourierTransform.h
+testSlaterDet.o: Timer.h FourierTransform.h
 testSpecies.o: Species.h Context.h SpeciesReader.h
 test_spline.o: spline.h
 testStepper.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
diff --git a/src/aix_mpi.mk b/src/aix_mpi.mk
index 7e52bbc..c6dda82 100644
--- a/src/aix_mpi.mk
+++ b/src/aix_mpi.mk
@@ -1,65 +1,41 @@
 #-------------------------------------------------------------------------------
 #
+# Copyright (c) 2008 The Regents of the University of California
+#
+# This file is distributed under the terms of the GNU General Public
+# License. See the file COPYING in the root directory of this distribution
+# or http://www.gnu.org/licenses
+#
+#-------------------------------------------------------------------------------
+#
 #  aix_mpi.mk
 #
 #-------------------------------------------------------------------------------
-# $Id: aix_mpi.mk,v 1.14 2007-10-19 16:24:05 fgygi Exp $
+# $Id: aix_mpi.mk,v 1.15 2008-06-18 03:39:53 fgygi Exp $
 PLT=AIX
 #-------------------------------------------------------------------------------
- XERCESCDIR=${HOME}/software/xml/xerces-c-${PLT}
- XERCESCLIBDIR=/usr/apps/qbox/lib
+ XERCESCDIR=${HOME}/qb/software/xerces/xerces-c-src_2_7_0
+ XERCESCLIBDIR=$(XERCESCDIR)/lib
+ FFTWDIR=$(HOME)/qb/software/fftw/fftw-2.1.5/fftw
+ FFTWLIBDIR=$(FFTWDIR)/.libs
+ FFTWINCLUDEDIR=$(FFTWDIR)
 
- CXX=newmpxlC
+ CXX=mpCC
  LD=$(CXX)
 
-#PLTFLAGS += -DUSE_ESSL -D_LARGE_FILES -DUSE_XERCES
- PLTFLAGS += -DUSE_ESSL -DUSE_CSTDIO_LFS -DUSE_XERCES -DPLT_BIG_ENDIAN
- INCLUDE = -I$(XERCESCDIR)/include
+ PLTFLAGS += -DUSE_FFTW -DUSE_CSTDIO_LFS -DUSE_XERCES -DPLT_BIG_ENDIAN
+ INCLUDE = -I$(XERCESCDIR)/include -I$(FFTWINCLUDEDIR)
 
  CXXFLAGS= -O2 -qmaxmem=-1 -DUSE_MPI -DSCALAPACK -D$(PLT) $(INCLUDE) \
            $(DFLAGS) $(PLTFLAGS)
-#CXXFLAGS= -g -qmaxmem=-1 -DUSE_MPI -DSCALAPACK -D$(PLT) $(INCLUDE) $(DFLAGS) \
-           $(DFLAGS) $(PLTFLAGS)
 
- LIBPATH = -L $(XERCESCLIBDIR)
+ LIBPATH = -L$(XERCESCLIBDIR) -L/usr/local/apps/scalapack -L$(FFTWLIBDIR)
 
- PLIBS = $(SCALAPACKLIB) $(PBLASLIB) $(TOOLSLIB) $(REDISTLIB) $(CBLACSLIB)
- LIBS =  $(PLIBS) -lessl -lm -lmassv -lxlf90_r $(XERCESCLIBDIR)/libxerces-c.so
+ PLIBS = $(SCALAPACKLIB) $(BLACSLIB)
+ LIBS =  $(PLIBS) -lessl -lm -lmassv -lxlf90_r -lfftw \
+         $(XERCESCLIBDIR)/libxerces-c.a
 
  LDFLAGS = -bmaxdata:0x80000000 $(LIBPATH) $(LIBS)
 
-#
-#  BLACS setup.  All version need the debug level (0 or 1),
-#  and the directory where the BLACS libraries are
-#
-BLACSDBGLVL   = 0
-BLACSdir      = $(HOME)/lib
-
-#
-#  MPI setup; uncomment and tailor to your system if using MPIBLACS
-#  Will need to comment out the default native BLACS setup below below
-#
-#USEMPI        = -DUsingMpiBlacs
-BLACSFINIT    = $(BLACSdir)/blacsF77init_MPI-SP-$(BLACSDBGLVL).a
-BLACSCINIT    = $(BLACSdir)/blacsCinit_MPI-SP-$(BLACSDBGLVL).a
-BLACSLIB      = $(BLACSdir)/blacs_MPI-SP-$(BLACSDBGLVL).a
-
-#
-#  system primitive BLACS setup, comment out if using MPI
-#
-CBLACSLIB     = $(BLACSCINIT) $(BLACSLIB) $(BLACSCINIT)
-FBLACSLIB     = $(BLACSFINIT) $(BLACSLIB) $(BLACSFINIT)
-
-#
-# BLAS and LAPACK
-#
-#BLASLIB      = /usr/local/lib/lapack.a -lesslsmp
-BLASLIB       = /usr/local/lib/lapack.a -lessl
-
-#
-#  The name of the libraries to be linked to
-#
-PBLASLIB      = $(HOME)/lib/pblas_SP.a
-SCALAPACKLIB  = $(HOME)/lib/libscalapack_SP.a
-TOOLSLIB      = $(HOME)/lib/tools_SP.a
-REDISTLIB     = $(HOME)/lib/redist_SP.a
+BLACSLIB = -lblacs
+SCALAPACKLIB = -lscalapack
diff --git a/src/x8664_gcc.mk b/src/x8664_gcc.mk
index 8f9adbb..8f396da 100644
--- a/src/x8664_gcc.mk
+++ b/src/x8664_gcc.mk
@@ -3,14 +3,16 @@
 #  x8664_gcc.mk
 #
 #-------------------------------------------------------------------------------
-# $Id: x8664_gcc.mk,v 1.10 2008-06-06 00:13:32 fgygi Exp $
+# $Id: x8664_gcc.mk,v 1.11 2008-06-18 03:39:53 fgygi Exp $
 #
  PLT=Linux_x8664
 #-------------------------------------------------------------------------------
-#GCCDIR=/usr/lib/gcc/x86_64-redhat-linux/4.1.1
-#MPIDIR=$(HOME)/software/mpich/mpich-1.2.6
  MPIDIR=/opt/mpich-1.2.6
  XERCESCDIR=$(HOME)/software/xml/Linux_x8664/xerces-c-src_2_5_0
+ FFTWDIR=$(HOME)/software/fftw/Linux_x8664/fftw-2.1.3/fftw
+ BLASDIR=$(HOME)/software/atlas/ATLAS/Linux_P4E64SSE3/lib
+ LAPACKDIR=$(HOME)/software/lapack/LAPACK
+
  PLTOBJECTS = readTSC.o
 
  CXX=/usr/bin/g++
@@ -20,10 +22,6 @@
              -D_FILE_OFFSET_BITS=64 -DUSE_MPI -DSCALAPACK -DADD_ \
              -DAPP_NO_THREADS -DXML_USE_NO_THREADS -DUSE_XERCES
 
- FFTWDIR=$(HOME)/software/fftw/Linux_x8664/fftw-2.1.3/fftw
- BLASDIR=$(HOME)/software/atlas/ATLAS/Linux_P4E64SSE3/lib
-#BLASDIR=/usr/lib64
- LAPACKDIR=$(HOME)/software/lapack/LAPACK
 
  INCLUDE = -I$(MPIDIR)/include -I$(FFTWDIR) -I$(XERCESCDIR)/include
 
@@ -53,15 +51,10 @@
  FBLACSLIB     = $(BLACSFINIT) $(BLACSLIB) $(BLACSFINIT)
 
  # Scalapack libraries
- #SCALAPACK_DIR = $(HOME)/software/scalapack/Linux_x8664/SCALAPACK
  SCALAPACK_DIR = $(HOME)/software/scalapack/Linux_x8664/scalapack-1.8.0
-#PBLASLIB      = $(SCALAPACK_DIR)/pblas_$(PLAT).a
  SCALAPACKLIB  = $(SCALAPACK_DIR)/libscalapack.a
-#TOOLSLIB      = $(SCALAPACK_DIR)/tools_$(PLAT).a
-#REDISTLIB     = $(SCALAPACK_DIR)/redist_$(PLAT).a
 
 # Parallel libraries
-#PLIBS = $(SCALAPACKLIB) $(PBLASLIB) $(TOOLSLIB) $(REDISTLIB) $(CBLACSLIB)
  PLIBS = $(SCALAPACKLIB) $(CBLACSLIB)
 
 #-------------------------------------------------------------------------------