default files

.gitignore

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+lib
+*.o
+*.x
+*.mod
+run
+test
+

Makefile

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+# Makefile for siesta
+#
+.SUFFIXES: .f .F .o .a  .f90 .F90
+
+VPATH=.
+#
+default: main
+#
+include arch.make
+
+DMFT_OBJS = ed_config.o ed_hamiltonian.o ed_solver.o ed_utils.o ed_operators.o
+
+MOD_OBJS = sys.o parallel_params.o precision.o
+OBJS = main.o $(DMFT_OBJS)
+
+COM_OBJS=$(OBJS) $(SYSOBJ)
+ALL_OBJS=$(MOD_OBJS) $(COM_OBJS)
+
+##################
+### FDF Module ###
+##################
+FDF=libfdf.a
+$(FDF): 
+	(cd fdf ; $(MAKE) "VPATH=$(VPATH)/fdf" \
+		    "FPPFLAGS=$(FPPFLAGS)" module )
+
+# Dependencies
+main.o ed_config.o: $(FDF)
+
+main.o: parallel_params.o ed_config.o ed_hamiltonian.o ed_solver.o
+ed_solver.o: ed_utils.o
+ed_hamiltonian.o: ed_operators.o ed_utils.o
+
+main: $(FDF) $(ALL_OBJS)
+	$(FC) -o main.x $(LDFLAGS) $(ALL_OBJS) $(FDF) $(LIBS) 
+#
+clean: 
+	@echo "==> Cleaning object, library, and executable files"
+	rm -f main *.o  *.a
+	rm -f *.mod
+	(cd fdf ; $(MAKE) clean)
+#
+%.o:%.mod
+
+

arch.make

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+# 
+SIESTA_ARCH     = ifort-mpich
+FC              = mpif90
+FFLAGS          = -traceback
+LIBS            = -mkl=sequential
+
+################################################################
+
+RANLIB          = ranlib
+DEFS            = -DMPI -DDEBUG
+#
+.F.o:
+	$(FC) -c $(FFLAGS)  $(DEFS) $<
+.f.o:
+	$(FC) -c $(FFLAGS)   $<
+.F90.o:
+	$(FC) -c $(FFLAGS)  $(DEFS) $<
+.f90.o:
+	$(FC) -c $(FFLAGS)   $<
+#

ed_config.f90

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+module ed_config
+    use precision
+    use fdf
+
+    implicit none
+
+    ! dimensions of the problem
+    integer :: Norb
+    integer :: Nbath
+    integer :: Nsite
+
+    integer :: Nsector
+    integer, allocatable :: Nelec(:)
+    integer, allocatable :: Nup(:)
+
+    ! physical parameters
+    real(dp) :: U
+    real(dp) :: Jex
+    real(dp) :: rMu
+    real(dp) :: beta
+
+    real(dp), allocatable :: ek(:)
+    real(dp), allocatable :: vk(:,:)
+
+    ! calculation parameters
+    real(dp) :: small
+    real(dp) :: scf_tol
+    integer :: Nstep
+    integer :: Niter
+    integer :: Nev
+
+    integer :: Nq
+    integer :: Nw
+
+    integer :: kind_basis = 4
+contains
+
+    subroutine ed_config_init
+
+        Norb = fdf_integer("DMFT.Norbs",2)
+        Nbath = fdf_integer("DMFT.Nbaths",2)
+        Nsite = Norb+Nbath
+
+
+    end subroutine ed_config_init
+
+
+
+end module ed_config