Removal of unused variables

CPV/src/cplib.f90

@@ -1091,7 +1091,7 @@ subroutine nlinit
       use ions_base,       ONLY : na, nsp
       use uspp,            ONLY : aainit, beta, qq_nt, dvan, nhtol, nhtolm, indv,&
                                   dbeta
-      use uspp_param,      ONLY : upf, lmaxq, nbetam, lmaxkb, nhm, nh, ish
+      use uspp_param,      ONLY : upf, lmaxq, nbetam, lmaxkb, nhm, nh
       use atom,            ONLY : rgrid
       use qgb_mod,         ONLY : qgb, dqgb
       use smallbox_gvec,   ONLY : ngb
@@ -1511,7 +1511,7 @@ end subroutine dylmr2_
       USE io_global,          ONLY: stdout
       USE gvect, ONLY: gstart
       USE uspp,               ONLY: nkb, qq_nt, indv_ijkb0
-      USE uspp_param,         ONLY: nh, ish, upf
+      USE uspp_param,         ONLY: nh, upf
       USE mp,                 ONLY: mp_sum
       USE mp_global,          ONLY: intra_bgrp_comm, nbgrp, inter_bgrp_comm
       USE cp_interfaces,      ONLY: calbec

CPV/src/cpr.f90

@@ -22,7 +22,7 @@ SUBROUTINE cprmain( tau_out, fion_out, etot_out )
                                        tfirst, tlast !moved here to make
                                                      !autopilot work
   USE core,                     ONLY : rhoc
-  USE uspp_param,               ONLY : nhm, nh, ish
+  USE uspp_param,               ONLY : nhm, nh
   USE uspp,                     ONLY : nkb, vkb, vkb_d, becsum, deeq, okvan, nlcc_any
   USE energies,                 ONLY : eht, epseu, exc, etot, eself, enl, &
                                        ekin, atot, entropy, egrand, enthal, &

CPV/src/pseudopot_sub.f90

@@ -59,8 +59,7 @@
                             ityp     !  the atomi specie for each atom
       use uspp,       only: nkb, &   !
                             nkbus    !
-      use uspp_param, only: ish,    &!
+      use uspp_param, only: upf,    &!
-                            upf,    &!
                             lmaxkb, &!
                             nhm,    &!
                             nbetam, &!
@@ -91,7 +90,8 @@
             ind = ind + 2 * upf(is)%lll( iv ) + 1
          end do
          nh(is) = ind
-         ish(is)=nkb
+         ! next variable no longer used or existing
+         ! ish(is)=nkb
          nkb = nkb + na(is) * nh(is)
          if(  upf(is)%tvanp ) nkbus = nkbus + na(is) * nh(is)
       end do
@@ -476,7 +476,7 @@
       USE kinds,         ONLY : DP
       use io_global,     only : stdout
       USE ions_base,     ONLY : nsp
-      USE uspp_param,    ONLY : upf, nh, nhm, nbetam, lmaxq, ish
+      USE uspp_param,    ONLY : upf, nh, nhm, nbetam, lmaxq
       USE atom,          ONLY : rgrid
       USE uspp,          ONLY : indv
       USE betax,         only : refg, qradx, mmx, dqradx
@@ -611,7 +611,7 @@
       use io_global,          only: stdout
       USE ions_base,          ONLY: nsp
       USE uspp_param,         ONLY: upf, nh, nhm, nbetam, lmaxq
-      use uspp_param,         only: lmaxkb, ish
+      use uspp_param,         only: lmaxkb
       USE atom,               ONLY: rgrid
       USE uspp,               ONLY: indv
       use uspp,               only: qq_nt, qq_nt_d, beta

Modules/read_pseudo.f90

@@ -18,7 +18,7 @@ MODULE read_pseudo_mod
   !
   USE atom,         ONLY: msh, rgrid
   USE ions_base,    ONLY: zv
-  USE uspp_param,   ONLY: upf, nvb
+  USE uspp_param,   ONLY: upf
   USE uspp,         ONLY: okvan, nlcc_any
   !! global variables modified on output 
   ! 
@@ -36,8 +36,7 @@ SUBROUTINE readpp ( input_dft, printout, ecutwfc_pp, ecutrho_pp )
   !
   !! Reads PP files and puts the result into the "upf" structure of module uspp_param
   !! Sets  DFT to input_dft if present, to the value read in PP files otherwise
-  !! Sets  number of valence electrons Zv, control variables okvan and nlcc_any,
+  !! Sets  number of valence electrons Zv, control variables okvan and nlcc_any
-  !! compatibility variable nvb
   !! Optionally returns cutoffs read from PP files into ecutwfc_pp, ecutrho_pp
   !
   USE kinds,        ONLY: DP
@@ -232,7 +231,6 @@ SUBROUTINE readpp ( input_dft, printout, ecutwfc_pp, ecutrho_pp )
   END IF
   ALLOCATE( rgrid( ntyp ), msh( ntyp ) )
   !
-  nvb = 0
   DO nt = 1, ntyp
      !
      CALL nullify_radial_grid( rgrid( nt ) )
@@ -259,10 +257,6 @@ SUBROUTINE readpp ( input_dft, printout, ecutwfc_pp, ecutrho_pp )
      !
      zv(nt) = upf(nt)%zp
      !
-     ! ... count US species (obsolete?)
-     !
-     IF (upf(nt)%tvanp) nvb=nvb+1
-     !
      ! check for zero atomic wfc, 
      ! check that (occupied) atomic wfc are properly normalized
      !
@@ -302,7 +296,7 @@ SUBROUTINE readpp ( input_dft, printout, ecutwfc_pp, ecutrho_pp )
   !
   ! more initializations
   !
-  okvan = ( nvb > 0 )
+  okvan = ANY ( upf(1:ntyp)%tvanp )
   nlcc_any = ANY ( upf(1:ntyp)%nlcc )
   !
   ! return cutoff read from PP file, if required

upflib/make.depend

@@ -112,8 +112,6 @@ upf_auxtools.o : upf_kinds.o
 upf_const.o : upf_kinds.o
 upf_error.o : upf_parallel_include.o
 upf_invmat.o : upf_kinds.o
-upf_ions.o : pseudo_types.o
-upf_ions.o : upf_params.o
 upf_ions.o : uspp.o
 upf_spinorb.o : upf_kinds.o
 upf_spinorb.o : upf_params.o

upflib/uspp.f90

@@ -25,10 +25,11 @@ MODULE uspp_param
   INTEGER :: &
        lmaxkb,               &! max angular momentum
        lmaxq                  ! max angular momentum + 1 for Q functions
-  INTEGER :: &
+!  INTEGER :: &
-       nvb,                  &! number of species with Vanderbilt PPs (CPV)
+!       nvb,                 &! number of species with Vanderbilt PPs (CPV)
-       ish(npsx)              ! for each specie the index of the first beta 
+!       ish(npsx)             ! for each specie the index of the first beta 
-                              ! function: ish(1)=1, ish(i)=1+SUM(nh(1:i-1))
+!                             ! function: ish(1)=1, ish(i)=1+SUM(nh(1:i-1))
+! the two variables above are no longer used in CP 
 
 END MODULE uspp_param
 !