Part of the variables for ultrasoft pseudopotentials have been moved to a

new module uspp_param, shared between PW and CP (in file Modules/uspp.f90) The flag newpseudo is no longer used to decide whether states with oc=0 are bound or not: for those states, and only for the old RRKJ format, oc is set to a negative value, and this signals that they are not bound. Not elegant but simpler than it used to be. The converter to UPF format did not include those states anyway. Beware unexpected side effects! git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@914 c92efa57-630b-4861-b058-cf58834340f0
2004-05-26 11:04:07 +00:00 · 2004-05-26 11:04:07 +00:00 · 4a5732790a
parent b895225c6e
commit 4a5732790a
75 changed files with 217 additions and 311 deletions
--- a/CPV/cplib.f90
+++ b/CPV/cplib.f90
@ -70,7 +70,6 @@
 !
 ! Compute atomic wavefunctions in G-space
 !
-      use ncprm
      use gvecw, only: ngw
      use reciprocal_vectors, only: gstart
      use ions_base, only: nsp, na, nas => nax
@ -82,13 +81,20 @@
      complex(kind=8), intent(in) ::  eigr(ngw,nas,nsp)
      complex(kind=8), intent(out):: wfc(ngw,n_atomic_wfc)
 !
-      integer natwfc, ndm, is, ia, ir, nb, l, m, lm, i
+      integer :: natwfc, ndm, is, ia, ir, nb, l, m, lm, i, lmax_wfc
      real(kind=8), allocatable::  ylm(:,:), q(:), jl(:), vchi(:),      &
     &     chiq(:)
 !
+! calculate max angular momentum required in wavefunctions
 !
-      allocate(ylm(ngw,(lmaxkb+1)**2))
-      call ylmr2 ((lmaxkb+1)**2, ngw, gx, g, ylm)
+      lmax_wfc=-1
+      do is = 1,nsp
+         do nb = 1, nchi(is)
+            lmax_wfc = max (lmax_wfc, lchi (nb, is) )
+         enddo
+      enddo
+      allocate(ylm(ngw,(lmax_wfc+1)**2))
+      call ylmr2 ((lmax_wfc+1)**2, ngw, gx, g, ylm)
      ndm = MAXVAL(mesh(1:nsp))
      allocate(jl(ndm), vchi(ndm))
      allocate(q(ngw), chiq(ngw))
@ -4441,7 +4447,6 @@
 !
 ! Projection on atomic wavefunctions
 !
-      use ncprm
      use io_global, only: stdout
      use elct, only: n, nx
      use gvecw, only: ngw
@ -4837,7 +4842,8 @@
 !---------------------------------------------------------------------
 !
      use atom, only: rab, r, mesh, nlcc, rho_atc
-      use ncprm, only: betar, dion, vloc_at, lll, nbeta, kkbeta, cmesh
+      use uspp_param, only: betar, dion, vloc_at, lll, nbeta, kkbeta
+      use qrl_mod, only: cmesh
      use bhs, only: rcl, rc2, bl, al, wrc1, lloc, wrc2, rc1
      use funct, only: dft, which_dft
      use ions_base, only: zv
@ -5013,14 +5019,14 @@
 !     according to the Rabe Rappe Kaxiras Johannopoulos recipe.
 !     Ultrasoft PP's are subsequently generated from the hard PP's.
 !
-!     Output parameters in module "ncprm"
+!     Output parameters in module "uspp_param"
 !     info on DFT level in module "dft"
 !
      use parameters, only: nsx, natx, lqmax, ndmx
      use atom, only: rho_atc, r, rab, mesh, nlcc, lchi, chi, nchi, nchix
-      use ncprm, only: nqlc, qfunc, vloc_at, rinner,&
-                       qrl, qqq, nbeta, nbrx, betar,  &
-                       dion, lll, kkbeta
+      use uspp_param, only: nqlc, qfunc, vloc_at, rinner,&
+                       qqq, nbeta, nbrx, betar, dion, lll, kkbeta
+      use qrl_mod, only: qrl
      use funct, only: dft, iexch, icorr, igcx, igcc
      use ions_base, only: zv
      use io_global, only: stdout
@ -5217,7 +5223,7 @@
 !
 !     Read Vanderbilt pseudopotential of type "ipp" for species "is" 
 !     from unit "iunps"
-!     Output parameters in module "ncprm"
+!     Output parameters in module "uspp_param"
 !     info on DFT level in module "funct"
 !
 !
@ -5271,8 +5277,9 @@
 !
      use kinds, only: DP
      use parameters, only: nchix, lmaxx, nbrx, ndmx, nsx, lqmax, nqfx
-      use ncprm, only: qfunc, qfcoef, qqq, betar, dion, vloc_at, cmesh,&
-                       qrl, rinner, kkbeta, lll, nbeta, nqf, nqlc
+      use uspp_param, only: qfunc, qfcoef, qqq, betar, dion, vloc_at, &
+           rinner, kkbeta, lll, nbeta, nqf, nqlc
+      use qrl_mod, only: cmesh, qrl
      use funct, only: dft, which_dft
      use atom, only: nchi, chi, lchi, r, rab, mesh, nlcc, rho_atc
      use ions_base, only: zv
@ -5648,8 +5655,9 @@
 ! 
 ! for compatibility with old Vanderbilt formats
 !
-      use ncprm, only: qfunc, qrl, nqf, qfcoef, rinner, lll, nbeta, &
+      use uspp_param, only: qfunc, nqf, qfcoef, rinner, lll, nbeta, &
                       kkbeta
+      use qrl_mod, only: qrl
      use atom, only: r
      ! the above module variables has no dependency from iosys
 !
@ -6969,7 +6977,6 @@
      use energies, only: etot, eself, enl, ekin, epseu, esr, eht, exc 
      use pseu
      use core
-      use ncprm
      use gvecb
      use work, only: wrk1
      use work_box
--- a/CPV/cprsub.f90
+++ b/CPV/cprsub.f90
@ -215,7 +215,8 @@
      use pseu
      use reciprocal_vectors, only: gstart
      use atom, only: r, rab, mesh
-      use ncprm, only: vloc_at, cmesh
+      use uspp_param, only: vloc_at
+      use qrl_mod, only: cmesh
 !
      use dpseu
      use dener
@ -876,7 +877,7 @@
      use constants, only: pi, fpi
      use ions_base, only: nsp
      use elct
-      use ncprm
+      use uspp_param, only: lqx, nqlc, lmaxkb, kkbeta, nbrx, nbeta
      use atom, only: nlcc, r, rab, mesh, rho_atc
      use qradb_mod
      use qgb_mod
@ -1235,7 +1236,9 @@
      use constants, only: pi, fpi
      use ions_base, only: ipp, na, nsp
      use elct
-      use ncprm
+      use uspp_param, only: kkbeta, qqq, nqlc, betar, nbrx, lqx, dion, nbeta, &
+           lmaxkb, lll
+      use qrl_mod, only: qrl, cmesh
      use atom, only: mesh, r, rab, nlcc
      use qradb_mod
      use qgb_mod
@ -1560,7 +1563,7 @@
      use uspp, only: nlx, lpx, lpl, ap
      use gvecb
      use cdvan
-      use ncprm, only: lqx
+      use uspp_param, only: lqx
 ! 
      implicit none
      integer ngy, iv, jv, is
@ -1636,7 +1639,7 @@
      use gvecb
      use dqrad_mod
      use cdvan
-      use ncprm, only: lqx
+      use uspp_param, only: lqx
 ! 
      implicit none
      integer ngy, iv, jv, is
--- a/CPV/modules.f90
+++ b/CPV/modules.f90
@ -136,11 +136,6 @@ contains
 end module gvec


-module ncprm
-
-  use parameters, only: nsx, ndmx, nqfx, nbrx, lqmax
-  implicit none
-  save
 !
 !  lqmax:  maximum angular momentum of Q (Vanderbilt augmentation charges)
 !  nqfx :  maximum number of coefficients in Q smoothing
@ -156,10 +151,6 @@ module ncprm
 !  lll      lll(j) is l quantum number of j'th beta function
 !  lqx      highest angular momentum that is present in Q functions
 !  lmaxkb   highest angular momentum that is present in beta functions
-
-  integer :: nbeta(nsx), kkbeta(nsx), &
-       nqf(nsx), nqlc(nsx), lll(nbrx,nsx), lqx, lmaxkb
-
 !  dion     bare pseudopotential D_{\mu,\nu} parameters
 !              (ionic and screening parts subtracted out)
 !  betar    the beta function on a r grid (actually, r*beta)
@ -171,10 +162,11 @@ module ncprm
 !              angular momentum (for r<rinner)
 !  vloc_at  local potential for each atom

-  real(kind=8) :: dion(nbrx,nbrx,nsx), &
-       betar(ndmx,nbrx,nsx), qqq(nbrx,nbrx,nsx), &
-       qfunc(ndmx,nbrx,nbrx,nsx), vloc_at(ndmx,nsx), &
-       qfcoef(nqfx,lqmax,nbrx,nbrx,nsx), rinner(lqmax,nsx)
+module qrl_mod
+
+  use parameters, only: nsx, ndmx, nbrx, lqmax
+  implicit none
+  save
 !
 ! qrl       q(r) functions (old format)
 ! cmesh     used only for Herman-Skillman mesh (old format)
@ -182,7 +174,7 @@ module ncprm
  real(kind=8) :: qrl(ndmx,nbrx,nbrx,lqmax,nsx)
  real(kind=8) :: cmesh(nsx)

-end module ncprm
+end module qrl_mod

 module pseu
  implicit none
--- a/CPV/read_pseudo.f90
+++ b/CPV/read_pseudo.f90
@ -9,7 +9,7 @@ subroutine read_pseudo (is, iunps, ierr)
  !
  ! CP90 modules
  !
-  use ncprm, only: qfunc, qfcoef, rinner, qqq, vloc_at, &
+  use uspp_param, only: qfunc, qfcoef, rinner, qqq, vloc_at, &
                   lll, nbeta, kkbeta,  nqlc, nqf, betar, dion
  use atom, only: chi, lchi, nchi, rho_atc, r, rab, mesh, nlcc
  use ions_base, only: zv
--- a/D3/Makefile
+++ b/D3/Makefile
@ -328,7 +328,6 @@ PWOBJS = \
 ../PW/save_in_cbands.o \
 ../PW/save_in_electrons.o \
 ../PW/save_in_ions.o \
-../PW/saveall.o \
 ../PW/scala_cdiag.o \
 ../PW/scala_cdiaghg.o \
 ../PW/scala_utils.o \
--- a/D3/d3_init.f90
+++ b/D3/d3_init.f90
@ -12,6 +12,7 @@ subroutine d3_init
 !-----------------------------------------------------------------------

  use pwcom
+  USE uspp_param, ONLY : vloc_at
  use atom, only: numeric, mesh, msh, rab, r
  use phcom
  use d3com
--- a/D3/d3_summary.f90
+++ b/D3/d3_summary.f90
@ -20,6 +20,7 @@ subroutine d3_summary
  USE io_global,  ONLY : stdout
  USE kinds, only : DP
  use pwcom
+  USE uspp_param, ONLY : rinner, nqlc, nqf, lll, nbeta, psd, iver
  USE atom, ONLY: mesh, numeric, xmin, dx, nlcc
  USE control_flags, ONLY : iverbosity
  use phcom
--- a/Gamma/Makefile
+++ b/Gamma/Makefile
@ -150,7 +150,6 @@ PWOBJS = \
 ../PW/rotate_wfc.o \
 ../PW/ruotaijk.o \
 ../PW/s_1psi.o \
-../PW/saveall.o \
 ../PW/save_in_cbands.o \
 ../PW/save_in_electrons.o \
 ../PW/save_in_ions.o \
--- a/Gamma/cg_summary.f90
+++ b/Gamma/cg_summary.f90
@ -16,6 +16,7 @@ subroutine cg_summary
  !
  USE io_global,  ONLY : stdout
  use pwcom
+  USE uspp_param, ONLY: psd
  use cgcom
  !
  implicit none
--- a/Modules/read_namelists.f90
+++ b/Modules/read_namelists.f90
@ -14,7 +14,6 @@ MODULE read_namelists_module
  !  --------------------------------------------------
  !
  USE kinds
-  USE kinds
  USE input_parameters
  USE constants, ONLY: factem, kb_au, au_kb, k_boltzman_au, angstrom_au, &
                       uma_au, pi
--- a/Modules/uspp.f90
+++ b/Modules/uspp.f90
@ -5,6 +5,40 @@
 ! in the root directory of the present distribution,
 ! or http://www.gnu.org/copyleft/gpl.txt .
 !
+MODULE uspp_param
+  !
+  ! ... Ultrasoft and Norm-Conserving pseudopotential parameters
+  !  
+  USE kinds,      ONLY : DP
+  USE parameters, ONLY : lqmax, nbrx, npsx, nqfx, ndmx
+  !
+  SAVE
+  !
+  CHARACTER(LEN=2 ) ::  psd(npsx)   ! name of the pseudopotential
+
+  REAL(KIND=DP) :: &
+       dion(nbrx,nbrx,npsx),       &! D_{mu,nu} parameters (in the atomic case)
+       betar(ndmx,nbrx,npsx),      &! radial beta_{mu} functions
+       jjj(nbrx,npsx),             &! total angular momentum of the beta function
+       qqq(nbrx,nbrx,npsx),        &! q_{mu,nu} parameters (in the atomic case)
+       qfunc(ndmx,nbrx,nbrx,npsx), &! Q_{mu,nu}(|r|) function for |r|> r_L
+       qfcoef(nqfx,lqmax,nbrx,nbrx,npsx), &! coefficients for Q for |r|<r_L
+       vloc_at(ndmx,npsx),                &! local potential
+       rinner(lqmax,npsx)                  ! values of r_L
+  INTEGER :: &
+       nbeta(npsx),          &! number of beta functions
+       kkbeta(npsx),         &! point where the beta are zero
+       nqf(npsx),            &! number of coefficients for Q
+       nqlc(npsx),           &! number of angular momenta in Q
+       ifqopt(npsx),         &! level of q optimization
+       lll(nbrx,npsx),       &! angular momentum of the beta function
+       iver(3,npsx)           ! version of the atomic code
+  INTEGER :: &
+       lmaxkb,               &! max angular momentum
+       lqx                    ! max angular momentum + 1 for Q functions
+END MODULE uspp_param
+!
+!
 MODULE uspp
  !
  ! Ultrasoft PPs:
--- a/PH/Makefile
+++ b/PH/Makefile
@ -274,7 +274,6 @@ PWOBJS = \
 ../PW/save_in_cbands.o \
 ../PW/save_in_electrons.o \
 ../PW/save_in_ions.o \
-../PW/saveall.o \
 ../PW/scala_cdiag.o \
 ../PW/scala_cdiaghg.o \
 ../PW/scala_utils.o \
--- a/PH/addusddens.f90
+++ b/PH/addusddens.f90
@ -21,6 +21,7 @@ subroutine addusddens (drhoscf, dbecsum, irr, mode0, npe, iflag)
  USE wavefunctions_module,  ONLY: psic
  use phcom
  USE kinds, only : DP
+  USE uspp_param, ONLY: lqx
  implicit none
  !
  !   the dummy variables
--- a/PH/addusddense.f90
+++ b/PH/addusddense.f90
@ -20,6 +20,7 @@ subroutine addusddense (drhoscf, dbecsum)
  use pwcom
  use phcom
  USE kinds, only : DP
+  USE uspp_param, ONLY: lqx
  implicit none
  !
  !   the dummy variables
--- a/PH/addusldos.f90
+++ b/PH/addusldos.f90
@ -16,6 +16,7 @@ subroutine addusldos (ldos, becsum1)
 #include "machine.h"
  use pwcom
  USE wavefunctions_module,  ONLY: psic
+  USE uspp_param, ONLY: lqx
  implicit none
  complex(kind=DP) :: ldos (nrxx, nspin)
  ! local density of states
--- a/PH/compute_qdipol.f90
+++ b/PH/compute_qdipol.f90
@ -7,8 +7,9 @@ subroutine compute_qdipol
  USE constants, ONLY: fpi
  USE atom, ONLY: r, rab
  USE ions_base, ONLY: ntyp => nsp
-  USE us, only: nbrx, tvanp, nbeta, lll, kkbeta, qfunc, rinner, &
-       qfcoef, nh, nhtol, nhtolm, nqf, indv
+  USE us, only: nh, nhtol, nhtolm, indv, tvanp
+  USE uspp_param, only: nbrx, nbeta, lll, kkbeta, qfunc, rinner, &
+       qfcoef, nqf
  USE uspp, ONLY: nlx, ap
  USE phus, ONLY: dpqq

--- a/PH/dvanqq.f90
+++ b/PH/dvanqq.f90
@ -21,6 +21,7 @@ subroutine dvanqq
  use pwcom
  USE kinds, only : DP
  use phcom
+  USE uspp_param, ONLY: lqx
  implicit none
  !
  !   And the local variables
--- a/PH/localdos.f90
+++ b/PH/localdos.f90
@ -23,7 +23,6 @@ subroutine localdos (ldos, ldoss, dos_ef)
  USE kinds, only : DP
  use phcom
  USE io_files, ONLY: iunigk
-
  implicit none

  complex(kind=DP) :: ldos (nrxx, nspin), ldoss (nrxxs, nspin)
--- a/PH/newdq.f90
+++ b/PH/newdq.f90
@ -19,6 +19,7 @@ subroutine newdq (dvscf, npe)
  use pwcom
  USE kinds, only : DP
  use phcom
+  USE uspp_param, ONLY: lqx
  implicit none
  !
  !   The dummy variables
--- a/PH/phq_init.f90
+++ b/PH/phq_init.f90
@ -39,6 +39,7 @@ SUBROUTINE phq_init()
  USE atom,                 ONLY : numeric, mesh, msh, r , rab
  USE wavefunctions_module, ONLY : evc
  USE kinds,           ONLY : DP
+  USE uspp_param,      ONLY : vloc_at
  USE phcom
  !
  IMPLICIT NONE
--- a/PH/phq_summary.f90
+++ b/PH/phq_summary.f90
@ -20,6 +20,7 @@ subroutine phq_summary
  USE io_global,     ONLY : stdout
  use pwcom
  USE atom,          ONLY : numeric, mesh, msh, dx, r , rab, xmin, nlcc
+  USE uspp_param,    ONLY : psd, lll, iver, nbeta, nqf, rinner, nqlc
  use phcom
  USE control_flags, ONLY : iverbosity
  
--- a/PH/set_drhoc.f90
+++ b/PH/set_drhoc.f90
@ -15,6 +15,7 @@ subroutine set_drhoc (q)
 #include "machine.h"

  use pwcom
+  USE parameters, ONLY: ndmx
  USE atom, ONLY : numeric, nlcc, msh, r, rab, rho_atc
  USE kinds, only : DP
  use phcom
--- a/PP/Makefile
+++ b/PP/Makefile
@ -201,7 +201,6 @@ PWOBJS = \
 ../PW/save_in_cbands.o \
 ../PW/save_in_electrons.o \
 ../PW/save_in_ions.o \
-../PW/saveall.o \
 ../PW/scala_cdiag.o \
 ../PW/scala_cdiaghg.o \
 ../PW/scala_utils.o \
--- a/PP/addusdens1d.f90
+++ b/PP/addusdens1d.f90
@ -21,7 +21,8 @@ subroutine addusdens1d (plan, prho)
  USE ions_base, ONLY: nat, ntyp => nsp, ityp
  USE gvect, ONLY: nr3, nrx3, nrxx, nl, eigts1, eigts2, eigts3, ig1,ig2,ig3
  USE lsda_mod, ONLY: current_spin
-  USE us, ONLY: lqx, becsum, nh, tvanp
+  USE us, ONLY: becsum, nh, tvanp
+  USE uspp_param, ONLY: lqx
  !
  !     here the local variables
  !
--- a/PP/dos.f90
+++ b/PP/dos.f90
@ -14,8 +14,12 @@ program dos
  !    prefix        prefix of input file produced by pw.x  'pwscf'
  !                    (wavefunctions are not needed)
  !    outdir        directory containing the input file    ./
-  !    ngauss1,      gaussian broadening parameters         0
-  !     degauss1       if absent, read from file            0.d0
+  !    ngauss1       gaussian broadening parameters         0
+  !            =  0  Simple Gaussian broadening (default)
+  !            =  1  Methfessel-Paxton of order 1
+  !            = -1  Marzari-Vanderbilt "cold smearing"
+  !            = 99  Fermi-Dirac function
+  !    degauss1      if absent, read from file              0.d0
  !    Emin, Emax    min, max energy (eV) for DOS plot      band extrema
  !    DeltaE        energy grid step (eV)                  none
  !    fildos        output file containing DOS(E)          dos.out
--- a/PP/local_dos.f90
+++ b/PP/local_dos.f90
@ -30,7 +30,7 @@ subroutine local_dos (iflag, lsign, kpoint, kband, emin, emax, dos)
  USE lsda_mod,             ONLY : lsda, nspin, current_spin, isk
  USE scf,                  ONLY : rho
  USE symme,                ONLY : nsym, s, ftau
-  USE us,                   ONLY : tvanp, becsum, nh, nkb, vkb
+  USE us,                   ONLY : becsum, nh, nkb, vkb, tvanp
  USE wavefunctions_module, ONLY : evc, psic
  USE wvfct,                ONLY : nbnd, npwx, npw, igk, wg, et, g2kin, &
       gamma_only
--- a/PP/poormanwannier.f90
+++ b/PP/poormanwannier.f90
@ -147,7 +147,7 @@ subroutine projection (first_band, last_band)
  do na = 1, nat
     nt = ityp (na)
     do n = 1, nchi (nt)
-        if (oc (n, nt) .gt.0.d0.or..not.newpseudo (nt) ) then
+        if (oc (n, nt) >= 0.d0) then
           l = lchi (n, nt)
           if ( (Hubbard_U(nt).ne.0.d0 .or. Hubbard_alpha(nt).ne.0.d0) .and. &
                                            l.eq.Hubbard_l(nt) )then
@ -181,7 +181,7 @@ subroutine projection (first_band, last_band)
  do na = 1, nat 
     nt = ityp (na) 
     do n = 1, nchi (nt) 
-        if (oc (n, nt) > 0.d0 .OR..NOT.newpseudo (nt) ) then 
+        if (oc (n, nt) >= 0.d0) then 
           l = lchi (n, nt) 
           lmax_wfc = max (lmax_wfc, l ) 
           do m = 1, 2 * l + 1 
@ -240,7 +240,7 @@ subroutine projection (first_band, last_band)
     do na = 1, nat
        nt = ityp (na)
        do n = 1, nchi (nt)
-           if (oc (n, nt) .gt.0.d0.or..not.newpseudo (nt) ) then
+           if (oc (n, nt) >= 0.d0) then
              l = lchi (n, nt)
              if ( (Hubbard_U(nt).ne.0.d0.or.Hubbard_alpha(nt).ne.0.d0) .and. &
                                            l.eq.Hubbard_l(nt) )then
@ -293,7 +293,7 @@ subroutine projection (first_band, last_band)
     do na = 1, nat
        nt = ityp (na)
        do n = 1, nchi (nt)
-           if (oc (n, nt) .gt.0.d0.or..not.newpseudo (nt) ) then
+           if (oc (n, nt) >= 0.d0) then
              l = lchi (n, nt)
              if ( (Hubbard_U(nt).ne.0.d0.or.Hubbard_alpha(nt).ne.0.d0) .and. &
                                            l.eq.Hubbard_l(nt) )then
--- a/PP/projwfc.f90
+++ b/PP/projwfc.f90
@ -177,7 +177,7 @@ subroutine projwave (io_choice,Emin, Emax, DeltaE, smoothing)
  do na = 1, nat 
     nt = ityp (na) 
     do n = 1, nchi (nt) 
-        if (oc (n, nt) > 0.d0 .OR..NOT.newpseudo (nt) ) then 
+        if (oc (n, nt) >= 0.d0) then 
           l = lchi (n, nt) 
           lmax_wfc = max (lmax_wfc, l ) 
           do m = 1, 2 * l + 1 
--- a/PW/Makefile
+++ b/PW/Makefile
@ -175,7 +175,6 @@ s_psi.o \
 save_in_cbands.o \
 save_in_electrons.o \
 save_in_ions.o \
-saveall.o \
 scala_cdiag.o \
 scala_cdiaghg.o \
 scala_utils.o \
--- a/PW/addusdens.f90
+++ b/PW/addusdens.f90
@ -20,7 +20,8 @@ subroutine addusdens
       nl, nlm, gg, g, eigts1, eigts2, eigts3, ig1, ig2, ig3
  USE lsda_mod, ONLY: nspin
  USE scf, ONLY: rho
-  USE us, ONLY : lqx, okvan, tvanp, nh, becsum
+  USE us, ONLY : okvan, nh, becsum, tvanp
+  USE uspp_param, ONLY : lqx
  USE wvfct, ONLY: gamma_only
  USE wavefunctions_module,    ONLY : psic
  implicit none
--- a/PW/addusforce.f90
+++ b/PW/addusforce.f90
@ -22,7 +22,8 @@ subroutine addusforce (forcenl)
       nl, nlm, gg, g, eigts1, eigts2, eigts3, ig1, ig2, ig3
  USE lsda_mod, ONLY: nspin
  USE scf, ONLY: vr, vltot
-  USE us, ONLY : lqx, okvan, tvanp, nhm, nh, becsum
+  USE us, ONLY : okvan, nh, nhm, becsum, tvanp
+  USE uspp_param, ONLY : lqx
  USE wvfct, ONLY: gamma_only
  implicit none
  real(kind=DP) :: forcenl (3, nat)
--- a/PW/addusstress.f90
+++ b/PW/addusstress.f90
@ -20,7 +20,8 @@ subroutine addusstres (sigmanlc)
       nl, nlm, gg, g, eigts1, eigts2, eigts3, ig1, ig2, ig3
  USE lsda_mod, ONLY: nspin
  USE scf, ONLY: vr, vltot
-  USE us, ONLY : lqx, okvan, tvanp, nhm, nh, becsum
+  USE us, ONLY : okvan, nh, nhm, becsum, tvanp
+  USE uspp_param, ONLY : lqx
  USE wvfct, ONLY: gamma_only
  implicit none
  real(kind=DP) :: sigmanlc (3, 3)
--- a/PW/allocate_nlpot.f90
+++ b/PW/allocate_nlpot.f90
@ -34,8 +34,8 @@ subroutine allocate_nlpot
  USE ldaU,  ONLY: Hubbard_lmax, ns, nsnew
  USE wvfct, ONLY: npwx, npw, igk, igk_l2g, g2kin
  USE us, ONLY: nh, indv, nhtol, nhtolm, qq, dvan, deeq, qrad, vkb, tab, &
-       tab_at, dq, becsum, nhm, lqx, nqx, nqxq, nkb, lmaxkb, lll, nbeta, &
-       tvanp, newpseudo, nhtoj
+       tab_at, dq, becsum, nhm, nqx, nqxq, nkb, nhtoj
+  USE uspp_param, ONLY: lqx, lmaxkb, lll, nbeta
  USE spin_orb, ONLY: lspinorb, qq_spinorb, fcoef
  implicit none
  !
@ -61,28 +61,16 @@ subroutine allocate_nlpot
  !
  lmaxkb = - 1
  do nt = 1, ntyp
-     if (tvanp (nt).or.newpseudo (nt)) then
-        nh (nt) = 0
-        do nb = 1, nbeta (nt)
-           nh (nt) = nh (nt) + 2 * lll (nb, nt) + 1
-           lmaxkb = max (lmaxkb, lll (nb, nt) )
-        enddo
-     else
-        nh (nt) = (lmax(nt) + 1) * (lmax(nt) + 1) - (2 * lloc(nt) + 1)
-        if (lloc (nt) .eq.lmax (nt) ) then
-           lmaxkb = max (lmaxkb, lmax (nt) - 1)
-        else
-           lmaxkb = max (lmaxkb, lmax (nt) )
-        endif
-     endif
+     nh (nt) = 0
+     do nb = 1, nbeta (nt)
+        nh (nt) = nh (nt) + 2 * lll (nb, nt) + 1
+        lmaxkb = max (lmaxkb, lll (nb, nt) )
+     enddo
  enddo
  !
  ! calculate the maximum number of beta functions
  !
-  nhm = 0
-  do nt = 1, ntyp
-     if (nh (nt) .gt.nhm) nhm = nh (nt)
-  enddo
+  nhm = MAXVAL (nh (1:ntyp))
  !
  ! calculate the number of beta functions of the solid
  !
--- a/PW/atomic_wfc.f90
+++ b/PW/atomic_wfc.f90
@ -24,7 +24,7 @@ subroutine atomic_wfc (ik, wfcatom)
  USE gvect, ONLY: ig1, ig2, ig3, eigts1, eigts2, eigts3, g
  USE klist, ONLY: xk
  USE wvfct, ONLY: npwx, npw, nbnd, igk
-  USE us,    ONLY: tab_at, dq, newpseudo
+  USE us,    ONLY: tab_at, dq
  implicit none
  integer :: ik
  ! input: k-point
@ -76,7 +76,7 @@ subroutine atomic_wfc (ik, wfcatom)
  !
  do nt = 1, ntyp
     do nb = 1, nchi (nt)
-        if (.not.newpseudo (nt) .or.oc (nb, nt) .gt.0.d0) then
+        if ( oc (nb, nt) >= 0.d0) then
           do ig = 1, npw
              px = qg (ig) / dq - int (qg (ig) / dq)
              ux = 1.d0 - px
@ -110,7 +110,7 @@ subroutine atomic_wfc (ik, wfcatom)
     !
     nt = ityp (na)
     do nb = 1, nchi (nt)
-        if (.not.newpseudo (nt) .or.oc (nb, nt) .gt.0.d0) then
+        if (oc (nb, nt) >= 0.d0) then
           l = lchi (nb, nt)
           lphase = (0.d0,1.d0)**l
           !  the factor i^l MUST BE PRESENT in order to produce
--- a/PW/bp_c_phase.f90
+++ b/PW/bp_c_phase.f90
@ -157,7 +157,8 @@ SUBROUTINE c_phase
   USE constants, ONLY: pi, tpi
   USE gvect, ONLY: ngm, nr1, nr2, nr3, nrx1, nrx2, nrx3, ecutwfc, &
        g, gcutm
-   USE us, ONLY: lqx, nhm, nkb, vkb, nh
+   USE us, ONLY: nhm, nkb, vkb, nh
+   USE uspp_param, ONLY: lqx
   USE lsda_mod, ONLY: nspin
   USE klist, ONLY: nelec, degauss, nks, xk, wk
   USE wvfct, ONLY: npwx, npw, nbnd
--- a/PW/bp_calc_btq.f90
+++ b/PW/bp_calc_btq.f90
@ -12,9 +12,9 @@
      USE parameters, only:  ndmx, nbrx
      USE kinds, only: DP
      use constants, only: fpi
-      use us, only: lqx, tvanp, qfunc, qfcoef, nqf, rinner, lll, nbeta, &
-           kkbeta
-!
+      USE uspp_param, only: lqx, qfunc, qfcoef, nqf, rinner, lll, &
+           nbeta, kkbeta
+      USE us, ONLY: tvanp
      implicit none
      integer :: ik,  msh_bp, i, np, m, k, l
      integer :: n,idbes,ilmin,ilmax,iv,jv
--- a/PW/bp_qvan3.f90
+++ b/PW/bp_qvan3.f90
@ -6,7 +6,8 @@
 !     calculate qg = SUM_LM (-I)^L AP(LM,iv,jv) YR_LM QRAD(iv,jv,L,is)
      USE kinds, ONLY: DP
      USE basis, ONLY: ntyp
-      USE us, ONLY: lqx, dq, nbrx, indv, qrad, nhtol, nhtolm
+      USE us, ONLY: dq, indv, qrad, nhtol, nhtolm
+      USE uspp_param, ONLY: lqx, nbrx
      USE uspp, ONLY: nlx, lpl, lpx, ap

      implicit none
--- a/PW/dndepsilon.f90
+++ b/PW/dndepsilon.f90
@ -21,7 +21,7 @@ subroutine dndepsilon ( dns,ldim,ipol,jpol )
   USE ldaU, ONLY: swfcatom, Hubbard_l, Hubbard_U, Hubbard_alpha
   USE lsda_mod, ONLY: lsda, nspin, current_spin, isk
   USE wvfct, ONLY: nbnd, npwx, npw, igk, wg
-   USE us, ONLY: nkb, vkb, newpseudo
+   USE us, ONLY: nkb, vkb
   use becmod
   use io_files
 #ifdef __PARA
@ -60,7 +60,7 @@ subroutine dndepsilon ( dns,ldim,ipol,jpol )
      offset(na) = 0
      nt=ityp(na)
      do n=1,nchi(nt)
-         if (oc(n,nt).gt.0.d0.or..not.newpseudo(nt)) then
+         if (oc(n,nt) >= 0.d0) then
            l=lchi(n,nt)
            if (l.eq.Hubbard_l(nt)) offset(na) = counter
            counter = counter + 2 * l + 1
--- a/PW/dndtau.f90
+++ b/PW/dndtau.f90
@ -20,7 +20,7 @@ subroutine dndtau(dns,ldim,alpha,ipol)
   USE lsda_mod, ONLY: lsda, nspin, current_spin, isk
   USE ldaU, ONLY: swfcatom, Hubbard_l, Hubbard_U, Hubbard_alpha
   USE wavefunctions_module,    ONLY : evc
-   USE us, ONLY: nkb, vkb, newpseudo
+   USE us, ONLY: nkb, vkb
   USE wvfct, ONLY: nbnd, npwx, npw, igk, wg
   use becmod
   use io_files
@ -59,9 +59,9 @@ subroutine dndtau(dns,ldim,alpha,ipol)
      offset(na) = 0
      nt=ityp(na)
      do n=1,nchi(nt)
-         if (oc(n,nt).gt.0.d0.or..not.newpseudo(nt)) then
+         if (oc(n,nt) >= 0.d0) then
            l=lchi(n,nt)
-            if (l.eq.Hubbard_l(nt)) offset(na) = counter
+            if (l == Hubbard_l(nt)) offset(na) = counter
            counter = counter + 2 * l + 1
         end if
      end do
--- a/PW/dprojdepsilon.f90
+++ b/PW/dprojdepsilon.f90
@ -24,7 +24,7 @@ subroutine dprojdepsilon ( ik,dproj,wfcatom,spsi,ipol,jpol )
   USE ldaU, ONLY: swfcatom, Hubbard_l, Hubbard_U, Hubbard_alpha
   USE lsda_mod, ONLY: lsda, nspin, current_spin, isk
   USE wvfct, ONLY: nbnd, npwx, npw, igk, wg
-   USE us, ONLY: nkb, vkb, nhm, nh, qq, newpseudo
+   USE us, ONLY: nkb, vkb, nhm, nh, qq
   USE wavefunctions_module,    ONLY : evc
   use becmod
   use io_files
--- a/PW/dprojdtau.f90
+++ b/PW/dprojdtau.f90
@ -24,7 +24,7 @@ subroutine dprojdtau(dproj,wfcatom,spsi,alpha,ipol,offset)
   USE ldaU, ONLY: swfcatom, Hubbard_l, Hubbard_U, Hubbard_alpha
   USE lsda_mod, ONLY: lsda, nspin, current_spin, isk
   USE wvfct, ONLY: nbnd, npwx, npw, igk, wg
-   USE us, ONLY: nkb, vkb, nhm, nh, qq, newpseudo
+   USE us, ONLY: nkb, vkb, nhm, nh, qq
   USE wavefunctions_module,    ONLY : evc
   use becmod
 #ifdef __PARA
--- a/PW/dqvan2.f90
+++ b/PW/dqvan2.f90
@ -24,7 +24,8 @@ subroutine dqvan2 (ngy, ih, jh, np, qmod, dqg, ylmk0, dylmk0, ipol)
  USE kinds, ONLY: DP
  USE parameters, ONLY: nbrx
  USE gvect, ONLY: g
-  USE us, ONLY: lqx, dq, indv, nhtol, nhtolm, qrad
+  USE us, ONLY: dq, indv, nhtol, nhtolm, qrad
+  USE uspp_param, ONLY: lqx
  USE uspp, ONLY: nlx, lpl, lpx, ap
  implicit none
  integer :: ngy, ih, jh, np, ipol
--- a/PW/gen_at_dj.f90
+++ b/PW/gen_at_dj.f90
@ -24,8 +24,8 @@ subroutine gen_at_dj ( kpoint, natw, lmax_wfc, dwfcat )
   USE klist, ONLY: xk
   USE gvect, ONLY: ig1, ig2, ig3, eigts1, eigts2, eigts3, g
   USE wvfct, ONLY: npw, npwx, igk
-   USE us, ONLY: tab_at, dq, newpseudo
-  implicit none
+   USE us, ONLY: tab_at, dq
+   implicit none
   !
   !  I/O variables
   !
@ -64,7 +64,7 @@ subroutine gen_at_dj ( kpoint, natw, lmax_wfc, dwfcat )

   do nt=1,ntyp
      do nb=1,nchi(nt)
-         if (.not.newpseudo(nt).or.oc(nb,nt).gt.0.d0) then
+         if (oc(nb,nt) >= 0.d0) then
            l =lchi(nb,nt)
            do ig = 1, npw
               qt=q(ig)*tpiba
@ -103,7 +103,7 @@ subroutine gen_at_dj ( kpoint, natw, lmax_wfc, dwfcat )
                  eigts3(ig3(iig),na) * phase
      end do
      do nb = 1,nchi(nt)
-         if (.not.newpseudo(nt).or.oc(nb,nt).gt.0.d0) then
+         if (oc(nb,nt) >= 0.d0) then
            l  = lchi(nb,nt)
            pref = (1.d0,0.d0)**l
            pref = (0.d0,1.d0)**l
--- a/PW/gen_at_dy.f90
+++ b/PW/gen_at_dy.f90
@ -24,7 +24,7 @@ subroutine gen_at_dy ( ik, natw, lmax_wfc, u, dwfcat )
   USE klist, ONLY: xk
   USE gvect, ONLY: ig1, ig2, ig3, eigts1, eigts2, eigts3, g
   USE wvfct, ONLY: npw, npwx, igk
-   USE us, ONLY: tab_at, dq, newpseudo
+   USE us, ONLY: tab_at, dq
   implicit none
   !
   !  I/O variables
@ -79,7 +79,7 @@ subroutine gen_at_dy ( ik, natw, lmax_wfc, u, dwfcat )
   !
   do nt = 1,ntyp
      do nb = 1,nchi(nt)
-         if (.not.newpseudo(nt).or.oc(nb,nt).gt.0.d0) then
+         if (oc(nb,nt) >= 0.d0) then
            l = lchi(nb,nt)
            do ig = 1, npw
               px = q (ig) / dq - int (q (ig) / dq)
@ -113,7 +113,7 @@ subroutine gen_at_dy ( ik, natw, lmax_wfc, u, dwfcat )
                  eigts3(ig3(iig),na) * phase
      end do
      do nb = 1,nchi(nt)
-         if (.not.newpseudo(nt).or.oc(nb,nt).gt.0.d0) then
+         if (oc(nb,nt) >= 0.d0) then
            l  = lchi(nb,nt)
            pref = (1.d0,0.d0)**l
            pref = (0.d0,1.d0)**l
--- a/PW/gen_us_dj.f90
+++ b/PW/gen_us_dj.f90
@ -21,7 +21,8 @@ subroutine gen_us_dj (ik, dvkb)
  USE klist, ONLY: xk
  USE gvect, ONLY: ig1, ig2, ig3, eigts1, eigts2, eigts3, g
  USE wvfct, ONLY: npw, npwx, igk
-  USE us, ONLY: nkb,  lmaxkb, dq, nbeta, nh, indv, nhtol, nhtolm, tab
+  USE us, ONLY: nkb,  dq, nh, indv, nhtol, nhtolm, tab
+  USE uspp_param, ONLY : lmaxkb, nbeta
  implicit none
  !
  integer :: ik
--- a/PW/gen_us_dy.f90
+++ b/PW/gen_us_dy.f90
@ -22,7 +22,8 @@ subroutine gen_us_dy (ik, u, dvkb)
  USE klist, ONLY: xk
  USE gvect, ONLY: ig1, ig2, ig3, eigts1, eigts2, eigts3, g
  USE wvfct, ONLY: npw, npwx, igk
-  USE us, ONLY: nkb,  lmaxkb, dq, nbeta, nh, indv, nhtol, nhtolm, tab
+  USE us, ONLY: nkb,  dq, nh, indv, nhtol, nhtolm, tab
+  USE uspp_param, ONLY : lmaxkb, nbeta
  implicit none
  !
  integer :: ik
--- a/PW/init_at_1.f90
+++ b/PW/init_at_1.f90
@ -21,7 +21,7 @@ subroutine init_at_1
  USE constants, ONLY: fpi
  USE cell_base, ONLY: omega
  USE basis, ONLY: ntyp
-  USE us, ONLY: tab_at, nqx, dq, newpseudo
+  USE us, ONLY: tab_at, nqx, dq
  implicit none
  !
  integer :: n_starting_wfc, nt, nb, iq, ir, l, startq, lastq, ndm
@ -44,7 +44,7 @@ subroutine init_at_1
  tab_at(:,:,:) = 0.d0
  do nt = 1, ntyp
     do nb = 1, nchi (nt)
-        if (.not.newpseudo (nt) .or.oc (nb, nt) .gt.0.d0) then
+        if (oc (nb, nt) >= 0.d0) then
           l = lchi (nb, nt)
           do iq = startq, lastq
              q = dq * (iq - 1)
--- a/PW/init_us_1.f90
+++ b/PW/init_us_1.f90
@ -36,9 +36,10 @@ subroutine init_us_1
  USE gvect, ONLY: g, gg
  USE pseud, ONLY: lloc, lmax
  USE lsda_mod, ONLY : nspin
-  USE us, ONLY: lqx, dion, betar, qfunc, qfcoef, rinner, nh, nbeta, &
-       kkbeta, nqf, nqlc, lll, jjj, tvanp, okvan, newpseudo, lmaxkb, &
-       nqxq, dq, nqx, tab, dvan, qq, nhtol, nhtoj, nhtolm, qrad, indv, nhm
+  USE us, ONLY: nh,tvanp, okvan, nqxq, dq, nqx, tab,nhtol, nhtoj, nhtolm, &
+       dvan, qq, qrad, indv, nhm
+  USE uspp_param, ONLY: lqx, dion, betar, qfunc, qfcoef, rinner, nbeta, &
+       kkbeta, nqf, nqlc, lll, jjj, lmaxkb
  USE uspp, ONLY : ap, aainit
  USE spin_orb, ONLY : lspinorb, rot_ylm, qq_spinorb, fcoef
  implicit none
--- a/PW/init_us_2.f90
+++ b/PW/init_us_2.f90
@ -20,8 +20,8 @@ subroutine init_us_2 (npw_, igk_, q_, vkb_)
  USE constants, ONLY: tpi
  USE gvect, ONLY: eigts1, eigts2, eigts3, ig1, ig2, ig3, g
  USE wvfct, ONLY: npw, npwx, igk
-  USE us, ONLY: nhm, nkb, vkb, lmaxkb, dq, nh, nhtol, nhtolm, tab, &
-       indv, nbeta
+  USE us, ONLY: nhm, nkb, vkb, dq, nh, nhtol, nhtolm, tab, indv
+  USE uspp_param, ONLY: lmaxkb, nbeta
  implicit none
  !
  integer :: npw_, igk_ (npw_)
--- a/PW/init_vloc.f90
+++ b/PW/init_vloc.f90
@ -15,7 +15,7 @@ subroutine init_vloc
  !
 #include"machine.h"
  USE atom, ONLY: numeric, msh, mesh, r, rab
-  USE us, ONLY: vloc_at
+  USE uspp_param, ONLY: vloc_at
  USE basis, ONLY: ntyp
  USE cell_base, ONLY: omega, tpiba2
  USE vlocal, ONLY: vloc
--- a/PW/memory.f90
+++ b/PW/memory.f90
@ -51,8 +51,8 @@ subroutine setup2()
  USE gvect, ONLY: ecutwfc, gcutm, ngl, ngm
  USE klist, ONLY: xqq
  USE pseud, ONLY: lmax, lloc
-  USE us, ONLY: lmaxkb, tvanp, nh, nbeta, lll, lqx, nqx, nqxq, nhm, nkb, &
-       dq, newpseudo
+  USE uspp_param, ONLY: lmaxkb, nbeta, lll, lqx
+  USE us, ONLY: tvanp, nh, nqx, nqxq, nhm, nkb, dq
  USE wvfct, ONLY: npwx
  implicit none
  !
@ -63,20 +63,11 @@ subroutine setup2()
  !
  lmaxkb = - 1
  do nt = 1, ntyp
-     if (tvanp (nt) .or. newpseudo (nt)) then
-        nh (nt) = 0
-        do nb = 1, nbeta (nt)
-           nh (nt) = nh (nt) + 2 * lll (nb, nt) + 1
-           lmaxkb = max (lmaxkb, lll (nb, nt) )
-        enddo
-     else
-        nh (nt) = (lmax(nt) + 1) * (lmax(nt) + 1) - (2 * lloc(nt) + 1)
-        if (lloc (nt) == lmax (nt) ) then
-           lmaxkb = max (lmaxkb, lmax (nt) - 1)
-        else
-           lmaxkb = max (lmaxkb, lmax (nt) )
-        endif
-     endif
+     nh (nt) = 0
+     do nb = 1, nbeta (nt)
+        nh (nt) = nh (nt) + 2 * lll (nb, nt) + 1
+        lmaxkb = max (lmaxkb, lll (nb, nt) )
+     enddo
  enddo
  lqx = 2*lmaxkb+1
  !
@ -122,7 +113,8 @@ subroutine memory_estimate ( )
  USE gsmooth,ONLY: ngms, doublegrid
  USE ldaU,  ONLY: Hubbard_lmax, lda_plus_u
  USE lsda_mod, ONLY: nspin
-  USE us,    ONLY: okvan, nkb, lqx, nqx, nqxq, nhm
+  USE us,    ONLY: okvan, nkb,  nqx, nqxq, nhm
+  USE uspp_param,    ONLY: lqx
  USE control_flags, ONLY: nmix, isolve, diis_ndim
  USE wvfct, ONLY: gamma_only, npwx, nbnd, nbndx
 #ifdef __PARA
--- a/PW/new_ns.f90
+++ b/PW/new_ns.f90
@ -27,8 +27,7 @@ subroutine new_ns
  USE symme,     ONLY: nsym, irt
  USE wvfct,     ONLY: nbnd, npw, npwx, igk, wg, gamma_only
  USE wavefunctions_module,    ONLY : evc
-  USE us,        ONLY: newpseudo
-  USE gvect,   ONLY : gstart
+  USE gvect,     ONLY : gstart
  use io_files
 #ifdef __PARA
  use para
@ -62,9 +61,9 @@ subroutine new_ns
  do na = 1, nat  
     nt = ityp (na)  
     do n = 1, nchi (nt)  
-        if (oc (n, nt) .gt.0.d0.or..not.newpseudo (nt) ) then  
+        if (oc (n, nt) >= 0.d0) then  
           l = lchi (n, nt)  
-           if (l.eq.Hubbard_l(nt)) offset (na) = counter  
+           if (l == Hubbard_l(nt)) offset (na) = counter  
           counter = counter + 2 * l + 1  
        endif
     enddo
--- a/PW/newd.f90
+++ b/PW/newd.f90
@ -22,7 +22,8 @@ subroutine newd
       gstart, ig1, ig2, ig3, eigts1, eigts2, eigts3, nl
  USE lsda_mod, ONLY: nspin
  USE scf,   ONLY: vr, vltot
-  USE us,    ONLY: lqx, deeq, dvan, okvan, nh, nhm, tvanp
+  USE us,    ONLY: deeq, dvan, okvan, nh, nhm, tvanp
+  USE uspp_param,  ONLY: lqx
  USE wvfct, ONLY: gamma_only
  USE wavefunctions_module,    ONLY : psic
  implicit none
--- a/PW/pwcom.f90
+++ b/PW/pwcom.f90
@ -434,42 +434,16 @@ MODULE us
  !
  ! ... These parameters are needed with the US pseudopotentials
  !  
+  USE parameters, ONLY :  npsx
  USE kinds,      ONLY : DP
-  USE parameters, ONLY : lqmax, nbrx, npsx, nqfx, ndmx
  !
  SAVE
  !
-  CHARACTER(LEN=2 ) ::  psd(npsx)   ! name of the pseudopotential
-
-  REAL(KIND=DP) :: &
-       dion(nbrx,nbrx,npsx),              &! D_{mu,nu} parameters (in the 
-                                           !  atomic case)
-       betar(ndmx,nbrx,npsx),            &! radial beta_{mu} functions
-       jjj(nbrx,npsx),                   &! total angular momentum of 
-                                           ! the beta function
-       qqq(nbrx,nbrx,npsx),               &! q_{mu,nu} parameters (in the 
-                                           !  atomic case)
-       qfunc(ndmx,nbrx,nbrx,npsx),       &! Q_{mu,nu}(|r|) function for 
-                                           !  |r|> r_L
-       qfcoef(nqfx,lqmax,nbrx,nbrx,npsx), &! coefficients for Q in region 
-                                           !  |r|<r_L
-       vloc_at(ndmx,npsx),                &! local potential
-       rinner(lqmax,npsx)                  ! values of r_L
-  INTEGER :: &
-       nh(npsx),             &! number of beta functions per atomic type
-       nbeta(npsx),          &! number of beta functions
-       kkbeta(npsx),         &! point where the beta are zero
-       nqf(npsx),            &! number of coefficients for Q
-       nqlc(npsx),           &! number of angular momenta in Q
-       ifqopt(npsx),         &! level of q optimization
-       lll(nbrx,npsx),       &! angular momentum of the beta function
-       iver(3,npsx)           ! version of the atomic code
  INTEGER :: &
+       nh(npsx),         &! number of beta functions per atomic type
       nhm,              &! max number of different beta functions per atom
       nkb,              &! total number of beta functions, with struct.fact.
       nqxq,             &! size of interpolation table
-       lmaxkb,           &! max angular momentum
-       lqx,              &! max angular momentum + 1 for Q functions
       nqx                ! number of interpolation points
  INTEGER, ALLOCATABLE ::&
       indv(:,:),        &! correspondence of betas atomic <-> soli
@ -489,9 +463,9 @@ MODULE us
       tab(:,:,:),            &! interpolation table for PPs
       tab_at(:,:,:)           ! interpolation table for atomic wfc
  LOGICAL :: &
-       tvanp(npsx),           &! if .TRUE. the atom is of Vanderbilt type
-       newpseudo(npsx),       &! if .TRUE. RRKJ3 US pseudopotentials
-       okvan                   ! if .TRUE. at least one pseudo is Vanderbilt
+       tvanp(npsx),          &! if .TRUE. the atom is of Vanderbilt type
+       newpseudo(npsx),      &! if .TRUE. multiple projectors are allowed
+       okvan                  ! if .TRUE. at least one pseudo is Vanderbilt
  !
 END MODULE us
 !
--- a/PW/qvan2.f90
+++ b/PW/qvan2.f90
@ -21,7 +21,8 @@ subroutine qvan2 (ngy, ih, jh, np, qmod, qg, ylmk0)
  !
 #include "machine.h"
  USE kinds, ONLY: DP
-  USE us, ONLY: lqx, dq, nbrx, indv, qrad, nhtolm
+  USE us, ONLY: dq, indv, qrad, nhtolm
+  USE uspp_param, ONLY: lqx, nbrx
  USE uspp, ONLY: nlx, lpl, lpx, ap
  implicit none

--- a/PW/read_ncpp.f90
+++ b/PW/read_ncpp.f90
@ -16,7 +16,7 @@ subroutine read_ncpp (np, iunps)
       nchi, lchi, rho_at, rho_atc, numeric, nlcc
  use pseud, only: cc, alpc, zp, aps, alps, nlc, nnl, lmax, lloc, &
       a_nlcc, b_nlcc, alpha_nlcc
-  use us, only: vloc_at, betar, kkbeta, nbeta, lll, dion, psd
+  use uspp_param, only: vloc_at, betar, kkbeta, nbeta, lll, dion, psd
  use funct, only: dft, which_dft
  implicit none
  !
--- a/PW/readin.f90
+++ b/PW/readin.f90
@ -13,7 +13,8 @@ subroutine readpp
  !
 #include "machine.h"
  USE atom, ONLY: numeric, xmin, dx
-  USE us, ONLY: tvanp, iver, newpseudo
+  USE us, ONLY: tvanp, newpseudo
+  USE uspp_param, ONLY: iver
  USE basis, ONLY: ntyp
  USE funct, ONLY: iexch, icorr, igcx, igcc
  USE io_files, ONLY: pseudo_dir, psfile
--- a/PW/readnewvan.f90
+++ b/PW/readnewvan.f90
@ -20,9 +20,9 @@ subroutine readnewvan (is, iunps)
  use atom,  only: zmesh, mesh, xmin, dx, r, rab, chi, oc, nchi, &
       lchi, rho_at, rho_atc, nlcc
  use pseud, only: zp, lmax, lloc
-  use us,    only: vloc_at, dion, betar, qqq, qfcoef, qfunc, nqlc, &
-       rinner, nh, nbeta, kkbeta, lll, tvanp, psd
-
+  use uspp_param, only: vloc_at, dion, betar, qqq, qfcoef, qfunc, nqlc, &
+       rinner, nbeta, kkbeta, lll, psd
+  use us, only: tvanp
  use funct
  !
  implicit none
@ -89,7 +89,10 @@ subroutine readnewvan (is, iunps)
     read (iunps, '(a2,2i3,f6.2)', err = 100, iostat = ios) &
          rdum, ndum, lchi (nb, is) , oc (nb, is)
     lll (nb, is) = lchi (nb, is)
-
+     !
+     ! workaround to distinguish bound states from unbound states
+     !
+     if (oc (nb, is) <= 0.d0) oc (nb, is) = -1.0
  enddo
  kkbeta (is) = 0
  do nb = 1, nbeta (is)
--- a/PW/readvan.f90
+++ b/PW/readvan.f90
@ -22,8 +22,9 @@ subroutine readvan (is, iunps)
  use atom,  only: zmesh, mesh,dx, r, rab, chi, oc, nchi, lchi, &
       rho_at, rho_atc, nlcc
  use pseud, only: zp, lmax, lloc
-  use us,    only: vloc_at, dion, betar, qqq, qfcoef, qfunc, nqf, nqlc, &
-       rinner, nh, nbeta, kkbeta, lll, tvanp, iver, ifqopt, psd
+  use uspp_param, only: vloc_at, dion, betar, qqq, qfcoef, qfunc, nqf, nqlc, &
+       rinner, nbeta, kkbeta, lll, iver, ifqopt, psd
+  use us, only: tvanp
  use funct, only: dft, which_dft
  implicit none

--- a/PW/restart.f90
+++ b/PW/restart.f90
@ -47,8 +47,9 @@ subroutine writefile_new( what, ndw, et_g, wg_g, kunit )
       rho_atc, mesh, msh, nchi, lchi, numeric, nlcc
  USE pseud, ONLY: cc, alpc, zp, aps, alps, nlc, nnl, lmax, lloc, &
       a_nlcc, b_nlcc, alpha_nlcc
-  USE us, ONLY: vloc_at, dion, betar, qqq, qfunc, qfcoef, rinner, nh, psd, &
-       nbeta, kkbeta, nqf, nqlc, ifqopt, lll, iver, tvanp, okvan, newpseudo
+  USE us, ONLY:  nh, tvanp, okvan, newpseudo
+  USE uspp_param, ONLY: vloc_at, dion, betar, qqq, qfunc, qfcoef, rinner, &
+       psd, nbeta, kkbeta, nqf, nqlc, ifqopt, lll, iver
  USE extfield, ONLY:  tefield, dipfield, edir, emaxpos, eopreg, eamp
  USE wavefunctions_module,    ONLY : evc
  USE fixed_occ, ONLY: tfixed_occ 
@ -517,8 +518,9 @@ subroutine readfile_new( what, ndr, et_g, wg_g, kunit, nsizwfc, iunitwfc, ierr )
       rho_atc, mesh, msh, nchi, lchi, numeric, nlcc
  USE pseud, ONLY: cc, alpc, zp, aps, alps, nlc, nnl, lmax, lloc, &
       a_nlcc, b_nlcc, alpha_nlcc
-  USE us, ONLY: vloc_at, dion, betar, qqq, qfunc, qfcoef, rinner, nh, psd, &
-       nbeta, kkbeta, nqf, nqlc, ifqopt, lll, iver, tvanp, okvan, newpseudo
+  USE us, ONLY:  nh, tvanp, okvan, newpseudo
+  USE uspp_param, ONLY: vloc_at, dion, betar, qqq, qfunc, qfcoef, rinner, &
+       psd, nbeta, kkbeta, nqf, nqlc, ifqopt, lll, iver
  USE extfield, ONLY:  tefield, dipfield, edir, emaxpos, eopreg, eamp
  USE wavefunctions_module,    ONLY : evc
  USE fixed_occ, ONLY: tfixed_occ 
@ -652,7 +654,7 @@ subroutine readfile_new( what, ndr, et_g, wg_g, kunit, nsizwfc, iunitwfc, ierr )
      trdhead   = .TRUE.
      trdxdim   = .TRUE.
    CASE DEFAULT
-      CALL errore( ' writefile_new ', ' unknown value for what ', 1 )
+      CALL errore( ' readfile_new ', ' unknown value for what ', 1 )
  END SELECT


--- a/PW/s_psi.f90
+++ b/PW/s_psi.f90
@ -25,7 +25,7 @@ SUBROUTINE s_psi( lda, n, m, psi, spsi )
  !
  USE kinds, ONLY : DP
  USE wvfct,      ONLY : gamma_only 
-  USE us,         ONLY : vkb, nkb, okvan, nh, tvanp, qq
+  USE us,         ONLY : vkb, nkb, okvan, nh, qq, tvanp
  USE wvfct,      ONLY : igk, g2kin
  USE gsmooth,    ONLY : nls, nr1s, nr2s, nr3s, nrx1s, nrx2s, nrx3s, nrxxs
  USE ldaU,       ONLY : lda_plus_u
--- a/PW/saveall.f90
+++ b/PW/saveall.f90
@ -1,116 +0,0 @@
-!
-! Copyright (C) 2001 PWSCF group
-! This file is distributed under the terms of the
-! GNU General Public License. See the file `License'
-! in the root directory of the present distribution,
-! or http://www.gnu.org/copyleft/gpl.txt .
-!
-!
-!-----------------------------------------------------------------------
-subroutine saveall (iun, iflag)
-  !-----------------------------------------------------------------------
-  !
-  !      This subroutine writes to (iflag=1) or reads from (iflag!=1) unit
-  !      iun all quantities needed in subsequent calculations that are not
-  !      i) dynamically allocated, ii) distributed in parallel execution
-  !
-  USE cell_base
-  USE basis
-  USE gvect
-  USE gsmooth
-  USE klist
-  USE lsda_mod, ONLY: lsda
-  USE ktetra, ONLY: ntetra, ltetra, nk1, nk2, nk3, k1, k2, k3
-  USE symme, ONLY: s, ftau, nsym, invsym
-  USE atom
-  USE pseud
-  USE wvfct, ONLY: nbnd, npwx, nbndx, gamma_only
-  USE ener, ONLY: ef
-  USE force_mod, ONLY: lforce
-  USE control_flags, ONLY: iswitch, istep, modenum, noinv
-  USE char, ONLY : title, crystal, sname
-  USE us
-  USE extfield
-  USE fixed_occ, ONLY: tfixed_occ
-  USE ldaU,      ONLY: lda_plus_u, Hubbard_lmax, Hubbard_l, &
-                     Hubbard_U, Hubbard_alpha
-  USE io_files
-  USE funct
-  USE spin_orb,  ONLY: lspinorb
-  implicit none
-
-  integer :: iun, iflag
-  ! units where reads or writes
-  ! if 1 writes otherwise reads
-  integer :: ios
-  ! integer variable for I/O control
-  character (len=80) :: dummy_tmp_dir
-  !
-  if (iflag == 1) then
-     write (iun) celldm, at, bg, alat, omega, tpiba, tpiba2, ibrav, symm_type
-     write (iun) iswitch, istep, modenum
-     write (iun) nat, ntyp, nbnd, npwx, nbndx, natomwfc, gamma_only
-     write (iun) nr1, nr2, nr3, nrx1, nrx2, nrx3, nrxx, gcutm, ecutwfc, dual
-     write (iun) nr1s, nr2s, nr3s, nrx1s, nrx2s, nrx3s, nrxxs, &
-          doublegrid, gcutms
-     write (iun) ef, degauss, nelec, nks, nkstot, ngauss, lgauss
-     write (iun) k1, k2, k3, nk1, nk2, nk3, ntetra, ltetra
-     write (iun) s, ftau, nsym, invsym, noinv
-     write (iun) zmesh, xmin, dx, r, rab, vloc_at, chi, oc, rho_at, &
-          rho_atc, mesh, msh, nchi, lchi, numeric
-     write (iun) cc, alpc, zp, aps, alps, zv, nlc, nnl, lmax, lloc
-     write (iun) dion, betar, qqq, qfunc, qfcoef, rinner, nbeta, &
-          kkbeta, nqf, nqlc, ifqopt, lll, iver, tvanp, okvan
-     write (iun) newpseudo
-     write (iun) iexch, icorr, igcx, igcc, lsda
-     write (iun) a_nlcc, b_nlcc, alpha_nlcc, nlcc
-     write (iun) lforce
-     write (iun) tfixed_occ
-     write (iun) lda_plus_u, Hubbard_lmax, Hubbard_l, Hubbard_U, Hubbard_alpha
-     write (iun) tefield, dipfield
-     write (iun) edir
-     write (iun) emaxpos, eopreg, eamp
-     write (iun) jjj, jchi, lspinorb
-     write (iun) title, crystal, atm, psd, sname, tmp_dir
-  else
-     read (iun, err = 100, iostat = ios) celldm, at, bg, alat, &
-          omega, tpiba, tpiba2, ibrav, symm_type
-     read (iun, err = 100, iostat = ios) iswitch, istep, modenum
-     read (iun, err = 100, iostat = ios) nat, ntyp, nbnd, npwx, nbndx, &
-                                         natomwfc, gamma_only
-     read (iun, err = 100, iostat = ios) nr1, nr2, nr3, nrx1, nrx2, &
-          nrx3, nrxx, gcutm, ecutwfc, dual
-     read (iun, err = 100, iostat = ios) nr1s, nr2s, nr3s, nrx1s, &
-          nrx2s, nrx3s, nrxxs, doublegrid, gcutms
-     read (iun, err = 100, iostat = ios) ef, degauss, nelec, nks, nkstot,&
-          ngauss, lgauss
-     read (iun, err = 100, iostat = ios) k1, k2, k3, nk1, nk2, nk3, &
-          ntetra, ltetra
-     read (iun, err = 100, iostat = ios) s, ftau, nsym, invsym, noinv
-     read (iun, err = 100, iostat = ios) zmesh, xmin, dx, r, rab, &
-          vloc_at, chi, oc, rho_at, rho_atc, mesh, msh, nchi, lchi, numeric
-     read (iun, err = 100, iostat = ios) cc, alpc, zp, aps, alps, &
-          zv, nlc, nnl, lmax, lloc
-     read (iun, err = 100, iostat = ios) dion, betar, qqq, qfunc, &
-          qfcoef, rinner, nbeta, kkbeta, nqf, nqlc, ifqopt, lll, iver, &
-          tvanp, okvan
-     read (iun, err = 100, iostat = ios) newpseudo
-     read (iun, err = 100, iostat = ios) iexch, icorr, igcx, igcc, lsda
-     read (iun, err = 100, iostat = ios) a_nlcc, b_nlcc, alpha_nlcc, nlcc
-     read (iun, err = 100, iostat = ios) lforce
-     read (iun, err = 100, iostat = ios) tfixed_occ
-     read (iun, err = 100, iostat = ios) lda_plus_u, Hubbard_lmax, Hubbard_l, &
-          Hubbard_U, Hubbard_alpha
-     read (iun, err = 100, iostat = ios) tefield, dipfield 
-     read (iun, err = 100, iostat = ios) edir
-     read (iun, err = 100, iostat = ios) emaxpos, eopreg, eamp
-     read (iun, err = 100, iostat = ios) jjj, jchi, lspinorb
-     read (iun, err = 100, iostat = ios) title, crystal, atm, psd, &
-          sname, dummy_tmp_dir
-     !
-100  call errore ('saveall', 'reading file', abs (ios) )
-  endif
-
-  return
-end subroutine saveall
-
--- a/PW/scale_h.f90
+++ b/PW/scale_h.f90
@ -20,7 +20,8 @@ subroutine scale_h
  USE cellmd, ONLY : at_old, omega_old
  USE gvect, ONLY: g, gg, ngm
  USE klist, ONLY: xk, wk, nkstot
-  USE us, ONLY: nqxq, lqx, nbrx, nqx, qrad, tab
+  USE uspp_param, ONLY: lqx, nbrx
+  USE us, ONLY: nqxq, nqx, qrad, tab
  implicit none

  integer :: ig
--- a/PW/setup.f90
+++ b/PW/setup.f90
@ -59,7 +59,8 @@ SUBROUTINE setup()
                            restart, nosym, modenum, lraman
  USE relax,         ONLY : dtau_ref, starting_diag_threshold
  USE cellmd,        ONLY : calc
-  USE us,            ONLY : tvanp,okvan,newpseudo,psd,betar,nbeta,dion,jjj,lll
+  USE uspp_param,    ONLY : psd, betar, nbeta, dion, jjj, lll
+  USE us,            ONLY : tvanp, okvan
  USE ldaU,          ONLY : d1, d2, d3, lda_plus_u, Hubbard_U, Hubbard_l, &
                            Hubbard_alpha, Hubbard_lmax
  USE bp,            ONLY : gdir, lberry, nppstr
@ -304,7 +305,7 @@ SUBROUTINE setup()
  !
  ! ... set number of atomic wavefunctions
  !
-  natomwfc = n_atom_wfc( nat, npsx, ityp, newpseudo, nchix, nchi, oc, lchi )
+  natomwfc = n_atom_wfc( nat, npsx, ityp, nchix, nchi, oc, lchi )
  !
  ! ... set the max number of bands used in iterative diagonalization
  !
@ -559,7 +560,7 @@ END SUBROUTINE setup
 !
 !
 !----------------------------------------------------------------------------
-FUNCTION n_atom_wfc( nat, npsx, ityp, newpseudo, nchix, nchi, oc, lchi )
+FUNCTION n_atom_wfc( nat, npsx, ityp, nchix, nchi, oc, lchi )
  !----------------------------------------------------------------------------
  !
  ! ... Find max number of bands needed
@ -571,7 +572,6 @@ FUNCTION n_atom_wfc( nat, npsx, ityp, newpseudo, nchix, nchi, oc, lchi )
  INTEGER       :: n_atom_wfc
  INTEGER       :: nat, npsx, ityp(nat), nchix, nchi(npsx), lchi(nchix, npsx)
  REAL(KIND=DP) :: oc(nchix, npsx)
-  LOGICAL       :: newpseudo(npsx)
  INTEGER       :: na, nt, n
  !
  !
@ -579,7 +579,7 @@ FUNCTION n_atom_wfc( nat, npsx, ityp, newpseudo, nchix, nchi, oc, lchi )
  DO na = 1, nat
     nt = ityp(na)
     DO n = 1, nchi(nt)
-        IF ( oc(n,nt) > 0.D0 .OR. .NOT. newpseudo(nt) ) &
+        IF ( oc(n,nt) >= 0.D0 ) &
           n_atom_wfc = n_atom_wfc + 2 * lchi(n,nt) + 1
     END DO
  END DO
--- a/PW/stres_loc.f90
+++ b/PW/stres_loc.f90
@ -23,7 +23,7 @@ subroutine stres_loc (sigmaloc)
  USE vlocal, ONLY : strf, vloc
  USE wvfct, ONLY: gamma_only
  USE wavefunctions_module,    ONLY : psic
-  USE us, ONLY: vloc_at
+  USE uspp_param, ONLY: vloc_at
  implicit none
  real(kind=DP) :: sigmaloc (3, 3)
  real(kind=DP) , allocatable :: dvloc(:)
--- a/PW/stres_us.f90
+++ b/PW/stres_us.f90
@ -13,14 +13,14 @@ SUBROUTINE stres_us( ik, gk, sigmanlc )
  !
  ! nonlocal (separable pseudopotential) contribution to the stress
  !
+  USE kinds,                ONLY : DP
  USE basis,                ONLY : nat, ntyp, ityp
  USE constants,            ONLY : eps8
-  USE kinds,           ONLY : DP
  USE klist,                ONLY : nks, xk
  USE lsda_mod,             ONLY : current_spin, lsda, isk
  USE wvfct,                ONLY : gamma_only, npw, npwx, nbnd, igk, wg, et
-  USE us,                   ONLY : nkb, vkb, lmaxkb, nh, qq, deeq, tvanp, &
-       newpseudo
+  USE uspp_param,           ONLY : lmaxkb
+  USE us,                   ONLY : nkb, vkb, nh, qq, deeq, tvanp, newpseudo
  USE wavefunctions_module, ONLY : evc
 #ifdef __PARA
  USE para,                 ONLY : me
--- a/PW/sum_band.f90
+++ b/PW/sum_band.f90
@ -32,7 +32,7 @@ SUBROUTINE sum_band()
  USE scf,                  ONLY : rho
  USE symme,                ONLY : nsym, s, ftau
  USE io_files,             ONLY : iunwfc, nwordwfc, iunigk
-  USE us,                   ONLY : okvan, tvanp, becsum, nh, nkb, vkb
+  USE us,                   ONLY : okvan, becsum, nh, nkb, vkb, tvanp
  USE wavefunctions_module, ONLY : evc, psic
  USE wvfct,                ONLY : nbnd, npwx, npw, igk, wg, et
  USE mp_global,            ONLY : intra_image_comm, me_image, root_image
--- a/PW/summary.f90
+++ b/PW/summary.f90
@ -35,7 +35,8 @@ subroutine summary
       a_nlcc, b_nlcc, alpha_nlcc
  USE symme, ONLY: nsym, invsym, s, ftau
  USE control_flags
-  USE us, only: tvanp, nqf, rinner, nqlc, nbeta, iver, lll, psd
+  USE us, ONLY: tvanp
+  USE uspp_param, ONLY: nqf, rinner, nqlc, nbeta, iver, lll, psd
  USE spin_orb, only: lspinorb
  USE funct
  implicit none
--- a/PW/tabd.f90
+++ b/PW/tabd.f90
@ -15,7 +15,7 @@ subroutine tabd (nt, occ_loc)
  ! (PPs usually are built on non physical configurations)
  !
  USE kinds, ONLY: DP
-  USE us, ONLY: psd
+  USE uspp_param, ONLY: psd
  implicit none
  real(kind=DP) :: occ_loc
  ! output: the total number of d electrons
--- a/PW/upf_to_internal.f90
+++ b/PW/upf_to_internal.f90
@ -26,8 +26,9 @@ subroutine set_pseudo_upf (is, upf)
  USE atom,  ONLY: zmesh, mesh, msh, dx, r, rab, &
       chi, oc, nchi, lchi, jchi, rho_at, rho_atc, nlcc
  USE pseud, ONLY: lloc, lmax, zp
-  USE us,    ONLY: vloc_at, dion, betar, qqq, qfcoef, qfunc, nqf, nqlc, &
-       rinner, nh, nbeta, kkbeta, lll, jjj, tvanp, psd
+  USE us, ONLY: tvanp
+  USE uspp_param, ONLY: vloc_at, dion, betar, qqq, qfcoef, qfunc, nqf, nqlc, &
+       rinner, nbeta, kkbeta, lll, jjj, psd
  USE funct, ONLY: dft, which_dft
  !
  USE ions_base, ONLY: zv
--- a/PW/vhpsi.f90
+++ b/PW/vhpsi.f90
@ -20,7 +20,6 @@ subroutine vhpsi (ldap, np, mp, psip, hpsi)
       ns, nsnew, swfcatom
  USE lsda_mod, ONLY: nspin, current_spin
  USE basis, ONLY: nat, ntyp, ityp, natomwfc
-  USE us, ONLY: newpseudo
  USE wvfct, ONLY: gamma_only
  USE gvect,   ONLY : gstart

@ -40,7 +39,7 @@ subroutine vhpsi (ldap, np, mp, psip, hpsi)
  do na = 1, nat  
     nt = ityp (na)  
     do n = 1, nchi (nt)  
-        if (oc (n, nt) > 0.d0 .or. .not.newpseudo (nt) ) then  
+        if (oc (n, nt) >= 0.d0) then  
           l = lchi (n, nt)  
           if (l.eq.Hubbard_l(nt)) offset (na) = counter  
           counter = counter + 2 * l + 1  
--- a/PWCOND/Makefile
+++ b/PWCOND/Makefile
@ -228,7 +228,6 @@ PWOBJS = \
 ../PW/save_in_cbands.o \
 ../PW/save_in_electrons.o \
 ../PW/save_in_ions.o \
-../PW/saveall.o \
 ../PW/scala_cdiag.o \
 ../PW/scala_cdiaghg.o \
 ../PW/scala_utils.o \
--- a/PWCOND/allocate_cond.f90
+++ b/PWCOND/allocate_cond.f90
@ -11,6 +11,7 @@ subroutine allocate_cond
 !
 #include "machine.h"
  use pwcom
+  USE uspp_param, ONLY : nbrx, nbeta, lll, betar
  use atom, only: mesh, r
  use cond 
  implicit none
--- a/PWCOND/four.f90
+++ b/PWCOND/four.f90
@ -32,6 +32,8 @@ subroutine four(alpha, w0, k, dz)
 ! 
 #include "machine.h"
  use pwcom
+  USE parameters, ONLY: ndmx
+  USE uspp_param,    ONLY : betar
  use atom, only: msh, r, rab
  use cond
 implicit none
--- a/PWCOND/init_cond.f90
+++ b/PWCOND/init_cond.f90
@ -11,6 +11,7 @@ subroutine init_cond
 !
  USE io_global,  ONLY : stdout
  use pwcom
+  USE uspp_param,    ONLY : dion, nbeta, lll
  use cond
  implicit none
  integer :: nt, ib, ir, is, na, iorb, iorb1, m, ih, ih1, ioins, &