Some cleanup

init/postprocessInput.F90

@@ -10,7 +10,7 @@ CONTAINS
 
 SUBROUTINE postprocessInput(mpi,input,field,sym,stars,atoms,vacuum,obsolete,kpts,&
      oneD,hybrid,cell,banddos,sliceplot,xcpot,forcetheo,&
-     noco,DIMENSION,enpara,sphhar,l_opti,noel,l_kpts)
+     noco,DIMENSION,enpara,sphhar,l_opti,l_kpts)
 
   USE m_juDFT
   USE m_types
@@ -64,19 +64,15 @@ SUBROUTINE postprocessInput(mpi,input,field,sym,stars,atoms,vacuum,obsolete,kpts
   TYPE(t_field),    INTENT(INOUT) :: field
   LOGICAL,          INTENT  (OUT) :: l_opti
   LOGICAL,          INTENT   (IN) :: l_kpts
-  CHARACTER(len=3), ALLOCATABLE, INTENT(IN) :: noel(:)
 
-  INTEGER              :: i, j, n, na, n1, n2, iType, l, ilo, ikpt
-  INTEGER              :: minNeigd, nv, nv2, kq1, kq2, kq3, jrc, jsp, ii
+  INTEGER              :: i, j, n, na, iType, l, ilo
+  INTEGER              :: minNeigd, jrc, ii
   INTEGER              :: ios, ntst, ierr
-  REAL                 :: sumWeight, rmtmax, zp, radius, dr
-  REAL                 :: kmax1, dtild1, dvac1
-  REAL                 :: bk(3)
-  LOGICAL              :: l_vca, l_test,l_gga
+  REAL                 :: rmtmax, zp, radius, dr
+  LOGICAL              :: l_vca, l_test
  
   INTEGER, ALLOCATABLE :: lmx1(:), nq1(:), nlhtp1(:)
-  INTEGER, ALLOCATABLE :: jri1(:), lmax1(:)
-  REAL,    ALLOCATABLE :: rmt1(:), dx1(:)
+  REAL,    ALLOCATABLE :: rmt1(:)
 
 #ifdef CPP_MPI
   INCLUDE 'mpif.h'

inpgen/set_inp.f90

@@ -51,13 +51,13 @@
       CHARACTER(len=80), INTENT (IN) :: title
  
       INTEGER nel,i,j, nkptOld
-      REAL    kmax,dtild,dvac1,n1,n2,gam,kmax0,dtild0,dvac0,sumWeight
+      REAL    kmax,dtild,n1,n2,gam,kmax0,dtild0,dvac0,sumWeight
       REAL    recVecLength, kPointDen(3)
       LOGICAL l_test,l_gga,l_exists, l_explicit, l_kpts
       REAL     dx0(atoms%ntype), rmtTemp(atoms%ntype)
       REAL     a1Temp(3),a2Temp(3),a3Temp(3) 
       INTEGER  div(3)
-      INTEGER jri0(atoms%ntype),lmax0(atoms%ntype),nlo0(atoms%ntype),llo0(atoms%nlod,atoms%ntype)
+      INTEGER jri0(atoms%ntype),lmax0(atoms%ntype)
       CHARACTER(len=1)  :: ch_rw
       CHARACTER(len=4)  :: namex
       CHARACTER(len=3)  :: noel(atoms%ntype)
@@ -65,8 +65,7 @@
       CHARACTER(len=3)  :: latnamTemp
       CHARACTER(LEN=20) :: filename
       INTEGER  nu,iofile
-      INTEGER  iggachk
-      INTEGER  n ,iostat, errorStatus
+      INTEGER  n, errorStatus
       REAL     scpos ,zc
 
       TYPE(t_banddos)::banddos
@@ -88,7 +87,6 @@
       REAL     ::  taual_hyb(3,atoms%nat)
       INTEGER  ::  bands
       LOGICAL  ::  l_gamma
-      INTEGER  :: nkpt3(3)
 !HF
 
       INTEGER :: xmlElectronStates(29,atoms%ntype)

main/fleur_init.F90

@@ -84,11 +84,11 @@
           INTEGER    :: i,n,l,m1,m2,isym,iisym,numSpecies,pc,iAtom,iType
           COMPLEX    :: cdum
           CHARACTER(len=4)              :: namex
-          CHARACTER(len=12)             :: relcor, tempNumberString
+          CHARACTER(len=12)             :: relcor
           CHARACTER(LEN=20)             :: filename
           REAL                          :: a1(3),a2(3),a3(3)
           REAL                          :: dtild, phi_add
-          LOGICAL                       :: l_found, l_kpts, l_exist, l_krla
+          LOGICAL                       :: l_found, l_kpts, l_exist
 
 #ifdef CPP_MPI
           INCLUDE 'mpif.h'
@@ -203,7 +203,7 @@
              CALL timestart("postprocessInput") 
              CALL postprocessInput(mpi,input,field,sym,stars,atoms,vacuum,obsolete,kpts,&
                                    oneD,hybrid,cell,banddos,sliceplot,xcpot,forcetheo,&
-                                   noco,dimension,enpara,sphhar,l_opti,noel,l_kpts)
+                                   noco,dimension,enpara,sphhar,l_opti,l_kpts)
              CALL timestop("postprocessInput") 
 
              IF (mpi%irank.EQ.0) THEN

optional/pldngen.f90

@@ -69,13 +69,11 @@ SUBROUTINE pldngen(mpi,sym,stars,atoms,sphhar,vacuum,&
    TYPE(t_potden) :: den
 
    ! Local Scalars
-   INTEGER :: nrhomfile=26   
    INTEGER iden,ivac,ifft2,ifft3,archiveType
-   INTEGER imz,ityp,iri,ilh,imesh,lh,iq2,iq3,iter
+   INTEGER imz,ityp,iri,ilh,imesh,iter
    REAL cdnup,cdndown,chden,mgden,theta,phi,zero,rho_11,rziw,fermiEnergyTemp
    REAL rho_22,rho_21r,rho_21i,rhotot,mx,my,mz,fix,vz_r,vz_i
    COMPLEX czero
-   CHARACTER*8 dop,iop,name(10)
 
    ! Local Arrays
    !---> off-diagonal part of the density matrix
@@ -92,6 +90,8 @@ SUBROUTINE pldngen(mpi,sym,stars,atoms,sphhar,vacuum,&
    COMPLEX :: cdn21
    !---> end of test part
 
+   iter = 0 ! This is not clean!
+
    zero = 0.0 ; czero = CMPLX(0.0,0.0)
    ifft3 = 27*stars%mx1*stars%mx2*stars%mx3
    ifft2 = 9*stars%mx1*stars%mx2