Commit d1579c66 authored by sbraccia's avatar sbraccia

Removed references (not yet everywhere) to module basis for those variables...

Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@953 c92efa57-630b-4861-b058-cf58834340f0
parent fe91f1b9
......@@ -10,6 +10,7 @@
subroutine cg_readin
!-----------------------------------------------------------------------
!
USE ions_base, ONLY : nat
use pwcom
use cgcom
use io_files, only: tmp_dir, prefix
......@@ -128,7 +129,9 @@ end subroutine cg_readin
!-----------------------------------------------------------------------
subroutine cg_readmodes(iunit)
!-----------------------------------------------------------------------
!
#include "machine.h"
USE ions_base, ONLY : nat
USE kinds, only: DP
use pwcom
use cgcom
......
......@@ -12,6 +12,7 @@ subroutine cg_setup
!
#include "machine.h"
USE kinds, only: DP
USE ions_base, ONLY : nat, ntyp => nsp, ityp, tau
use pwcom
USE atom, ONLY: nlcc
USE restart_module, ONLY: readfile_new
......
......@@ -14,6 +14,7 @@ subroutine cg_summary
!%%%%%%%%%% summarize input data %%%%%%%%%%%%%%%%%%%
!%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
!
USE ions_base, ONLY : nat, atm, ityp, tau, zv, ntyp => nsp
USE io_global, ONLY : stdout
use pwcom
USE uspp_param, ONLY: psd
......
......@@ -13,6 +13,7 @@ subroutine dielec(do_zstar)
! calculates the dielectric tensor and effective charges
!
#include "machine.h"
USE ions_base, ONLY : nat, zv, ityp
use pwcom
use cgcom
implicit none
......
......@@ -14,6 +14,7 @@ subroutine dvpsi_e(kpoint,ipol)
! Requires on input: vkb, evc, igk
!
#include "machine.h"
USE ions_base, ONLY : ntyp => nsp, nat, ityp
USE kinds, only: DP
use pwcom
USE uspp_param, ONLY: nh
......
......@@ -12,6 +12,7 @@ subroutine dvpsi_kb(kpoint,nu)
! calculates dVion/dtau * psi and stores it in dvpsi
!
#include "machine.h"
USE ions_base, ONLY : ntyp => nsp, nat, ityp, tau
USE kinds, only: DP
use pwcom
USE uspp_param, ONLY: nh, nhm
......
......@@ -13,6 +13,7 @@ subroutine dynmat_init
! Calculate part of the terms appearing in the dynamical matrix
!
#include "machine.h"
USE ions_base, ONLY : ntyp => nsp, nat, ityp, zv, tau
use pwcom
use cgcom
implicit none
......
......@@ -10,7 +10,8 @@
subroutine dynmatcc(dyncc)
!--------------------------------------------------------------------
!
#include "machine.h"
#include "machine.h"
USE ions_base, ONLY : ntyp => nsp, nat, ityp, tau
use pwcom
USE atom, ONLY: nlcc, mesh, dx, r, rab, rho_atc, numeric
USE wavefunctions_module, ONLY: psic
......
......@@ -11,6 +11,7 @@ program cg_raman
!-----------------------------------------------------------------------
!
#include "machine.h"
USE ions_base, ONLY : nat, tau
use pwcom
use io_files
use cgcom
......@@ -114,6 +115,7 @@ subroutine cg_deps(deps_dtau)
! calculate d eps0/d tau with finite differences
!
#include "machine.h"
USE ions_base, ONLY : nat, tau
USE io_global, ONLY : stdout
USE io_files, ONLY : iunres
use pwcom
......@@ -244,6 +246,7 @@ subroutine cg_eps0dyn(w2,dynout)
!-----------------------------------------------------------------------
!
#include "machine.h"
USE ions_base, ONLY : nat, tau, ityp
USE io_global, ONLY : stdout
USE io_files, ONLY : iunres
use pwcom
......@@ -463,6 +466,7 @@ subroutine raman_cs(dynout,deps_dtau)
! calculate Raman cross section
!
#include "machine.h"
USE ions_base, ONLY : nat
USE io_global, ONLY : stdout
use pwcom
use cgcom
......@@ -503,6 +507,7 @@ subroutine raman_cs2(w2,dynout)
! calculate d eps0/d u (u=phonon mode) with finite differences
!
#include "machine.h"
USE ions_base, ONLY : nat, tau
USE io_global, ONLY : stdout
USE io_files, ONLY : iunres
use pwcom
......
......@@ -13,6 +13,7 @@ subroutine rhod2vkb(dyn0)
! calculate the electronic term: <psi|V''|psi> of the dynamical matrix
!
#include "machine.h"
USE ions_base, ONLY : nat, tau, ityp, ntyp => nsp
use pwcom
USE wavefunctions_module, ONLY: evc, psic
USE uspp_param, only: nh
......
......@@ -7,6 +7,8 @@
!
subroutine writedyn
!
USE ions_base, ONLY : nat, tau, ityp, ntyp => nsp, atm
use cgcom
use pwcom
implicit none
......
......@@ -8,6 +8,7 @@ subroutine add_dkmds(kpoint, uact, jpol, dvkb)
#include "machine.h"
use pwcom
USE ions_base, ONLY : nat, ityp, ntyp => nsp
USE kinds, only : DP
USE wavefunctions_module, ONLY : evc
USE uspp_param, only: nh
......
......@@ -6,6 +6,7 @@ subroutine add_for_charges (ik, uact)
!
#include "machine.h"
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
USE uspp_param, only: nh
......
......@@ -15,7 +15,7 @@ subroutine addcore (mode, drhoc)
USE kinds, only : DP
use atom, only: nlcc
use basis, only: nat, ityp
use ions_base, only: nat, ityp
use cell_base, only: tpiba
use gvect, only: ngm, nrxx, nrx1, nrx2, nrx3, nr1, nr2, nr3, nl, &
ig1, ig2, ig3, eigts1, eigts2, eigts3, g
......
......@@ -5,6 +5,7 @@ subroutine adddvepsi_us(becp2,ipol,kpoint)
!
#include "machine.h"
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
USE uspp_param, only: nh
......
......@@ -22,7 +22,7 @@ subroutine adddvscf (ipert, ik)
! modules from pwcom
USE us, ONLY : okvan
USE lsda_mod, ONLY : lsda, current_spin, isk
USE basis, ONLY : ntyp, nat, ityp
USE ions_base, ONLY : ntyp => nsp, nat, ityp
USE wvfct, ONLY : nbnd
! modules from phcom
USE control_ph, ONLY : lgamma
......
......@@ -12,6 +12,7 @@ subroutine addnlcc (imode0, drhoscf, npe)
!
#include "machine.h"
USE ions_base, ONLY : nat
use funct
use pwcom
USE kinds, only : DP
......
......@@ -15,7 +15,7 @@ subroutine addusdbec (ik, wgt, psi, dbecsum)
! is computed in addusddens.
!
#include "machine.h"
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
USE uspp_param, only: nh, tvanp, nhm
......
......@@ -16,7 +16,8 @@ subroutine addusddens (drhoscf, dbecsum, irr, mode0, npe, iflag)
! change of the becsum term.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE wavefunctions_module, ONLY: psic
use phcom
......
......@@ -16,7 +16,8 @@ subroutine addusddense (drhoscf, dbecsum)
! change of the becsum term.
!
#include "machine.h"
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
use phcom
USE kinds, only : DP
......
......@@ -17,7 +17,7 @@ subroutine addusdynmat (dynwrk)
!
#include "machine.h"
USE ions_base, ONLY : nat, ityp
use pwcom
USE kinds, only : DP
USE uspp_param, only: tvanp, nh
......
......@@ -14,6 +14,8 @@ subroutine addusldos (ldos, becsum1)
! the US augmentation.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE wavefunctions_module, ONLY: psic
USE uspp_param, ONLY: lmaxq, tvanp, nh, nhm
......
......@@ -15,7 +15,7 @@ subroutine allocate_part
!
#include "machine.h"
USE ions_base, ONLY : nat
use pwcom
USE kinds, only : DP
use phcom
......
......@@ -15,6 +15,7 @@ subroutine allocate_phq
!
#include "machine.h"
USE ions_base, ONLY : nat, ntyp => nsp
use pwcom
USE wavefunctions_module, ONLY: evc
USE kinds, only : DP
......
......@@ -17,6 +17,8 @@ subroutine compute_alphasum
!
!
#include "machine.h"
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
USE uspp_param, ONLY: nh, tvanp
......
......@@ -17,6 +17,8 @@ subroutine compute_becsum
!
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
USE uspp_param, ONLY: nh, tvanp
......
......@@ -15,7 +15,8 @@ subroutine compute_drhous (drhous, dbecsum, wgg, becq, alpq)
!
!
#include"machine.h"
!
USE ions_base, ONLY : nat
use pwcom
USE wavefunctions_module, ONLY: evc
USE io_files, ONLY: iunigk
......
......@@ -16,7 +16,8 @@ subroutine compute_dvloc (mode, dvlocin)
! and for each pattern u. It computes simultaneously all the bands.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp
use pwcom
USE kinds, only : DP
use phcom
......
......@@ -16,7 +16,8 @@ subroutine compute_nldyn (wdyn, wgg, becq, alpq)
! the nonlocal terms is computed here
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
USE uspp_param, ONLY: nh
......
......@@ -17,7 +17,8 @@ subroutine drho
!
!
#include"machine.h"
!
USE ions_base, ONLY : nat
use pwcom
USE kinds, only : DP
USE uspp_param, only: nhm
......
......@@ -14,7 +14,8 @@ subroutine drhodv (nu_i0, nper, drhoscf)
! <psi|dv|dpsi> of the dynamical matrix
!
#include "machine.h"
!
USE ions_base, ONLY : nat
use pwcom
USE kinds, only : DP
USE io_files, ONLY: iunigk
......
......@@ -15,7 +15,8 @@ subroutine drhodvloc (nu_i0, nper, drhoscf, wdyn)
! and for US pseudopotentials.
!
#include "machine.h"
!
USE ions_base, ONLY : nat
use pwcom
USE kinds, only : DP
use phcom
......
......@@ -15,6 +15,8 @@ subroutine drhodvnl (ik, ikk, nper, nu_i0, wdyn, dbecq, dalpq)
! the nonlocal terms is computed here
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ntyp => nsp, ityp
use pwcom
USE kinds, only : DP
USE uspp_param, only: nh
......
......@@ -17,7 +17,8 @@ subroutine drhodvus (irr, imode0, dvscfin, npe)
!
!
#include "machine.h"
!
USE ions_base, ONLY : nat
use pwcom
USE kinds, only : DP
use phcom
......
......@@ -17,7 +17,8 @@ subroutine dvanqq
! addusdynmat, and int1 and int2 saved on disk by that routine.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
use phcom
......
......@@ -6,7 +6,8 @@ subroutine dvkb3(kpoint,dvkb)
! charge. It assume that the variable dpqq, has been set.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
USE wavefunctions_module, ONLY : evc
......
......@@ -18,6 +18,7 @@ subroutine dvpsi_e (kpoint, ipol)
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
USE io_global, ONLY : stdout
use pwcom
USE wavefunctions_module, ONLY: evc
......
......@@ -16,7 +16,8 @@ subroutine dvqpsi_us (ik, mode, uact, addnlcc)
! and for each pattern u. It computes simultaneously all the bands.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp
use pwcom
use atom, only: nlcc
USE wavefunctions_module, ONLY: evc
......
......@@ -16,7 +16,8 @@ subroutine dvqpsi_us_only (ik, mode, uact)
! and for each pattern u. It computes simultaneously all the bands.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
USE uspp_param, ONLY: nh
......
......@@ -18,7 +18,8 @@ subroutine dynmat0
!
!
#include "machine.h"
!
USE ions_base, ONLY : nat,ntyp => nsp, ityp, zv, tau
use pwcom
USE control_flags, ONLY : iswitch
USE kinds, ONLY : DP
......
......@@ -14,7 +14,8 @@ subroutine dynmat_us
! of the dynamical matrix.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp, tau
use pwcom
USE wavefunctions_module, ONLY: evc
USE io_files, ONLY: iunigk
......
......@@ -12,7 +12,8 @@ subroutine dynmatcc
! diagonal (q-independent) NLCC contribution to the dynamical matrix
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, tau
use pwcom
USE kinds, only : DP
use phcom
......
......@@ -15,6 +15,8 @@ subroutine dynmatrix
! output.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ntyp => nsp, ityp, tau, atm
USE io_global, ONLY : stdout
USE control_flags, ONLY : iswitch, modenum, noinv
use pwcom
......
......@@ -13,6 +13,8 @@ subroutine elphon
! Electron-phonon calculation from data saved in fildvscf
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ntyp => nsp, ityp, tau
use pwcom
USE kinds, only : DP
use phcom
......@@ -293,7 +295,7 @@ subroutine elphsum
! Original routine written by Francesco Mauri
!
#include "machine.h"
USE ions_base, ONLY : nat
use pwcom
USE kinds, only : DP
use phcom
......
......@@ -15,7 +15,7 @@ subroutine incdrhoscf (drhoscf, weight, ik, dbecsum, mode)
!
!
#include "machine.h"
USE ions_base, ONLY : nat
use pwcom
USE wavefunctions_module, ONLY: evc
USE kinds, only : DP
......
......@@ -15,7 +15,7 @@ subroutine incdrhous (drhoscf, weight, ik, dbecsum, evcr, wgg, becq, &
! smooth part is computed here.
!
#include "machine.h"
USE ions_base, ONLY : ntyp => nsp, nat, ityp
use pwcom
USE kinds, only : DP
USE uspp_param, ONLY: nhm, nh
......
......@@ -8,6 +8,8 @@
!---------------------------------------------------------------------
subroutine io_pattern (fildrho,nirr,npert,u,iflag)
!---------------------------------------------------------------------
!
USE ions_base, ONLY : nat
USE io_global, ONLY : stdout
use pwcom
USE kinds, only : DP
......
......@@ -17,7 +17,8 @@ subroutine localdos (ldos, ldoss, dos_ef)
! NB: this routine works only with gamma
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE wavefunctions_module, ONLY: evc, psic
USE kinds, only : DP
......
......@@ -15,7 +15,8 @@ subroutine newdq (dvscf, npe)
! system and adds it to dvpsi.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
use pwcom
USE kinds, only : DP
use phcom
......
......@@ -32,14 +32,15 @@ SUBROUTINE phq_init()
! second part of the dynamical matrix.
!
!
USE ions_base, ONLY : nat, ntyp => nsp, ityp, tau
USE constants, ONLY : eps8
USE io_global, ONLY : stdout
USE io_files, ONLY : iunigk
USE pwcom
USE atom, ONLY : numeric, mesh, msh, r , rab
USE wavefunctions_module, ONLY : evc
USE kinds, ONLY : DP
USE uspp_param, ONLY : vloc_at
USE kinds, ONLY : DP
USE uspp_param, ONLY : vloc_at
USE phcom
!
IMPLICIT NONE
......
......@@ -15,7 +15,8 @@ subroutine phq_readin
! by the self-consistent program.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ntyp => nsp
use pwcom
USE check_stop, ONLY : time_max => max_seconds
USE kinds, ONLY : DP
......
......@@ -14,7 +14,8 @@ subroutine phq_recover
! a given iteration of a given irreducible representation
!
#include "machine.h"
!
USE ions_base, ONLY : nat
USE io_global, ONLY : stdout
use pwcom
USE kinds, ONLY : DP
......
......@@ -43,6 +43,8 @@ subroutine phq_setup
! Oct-Nov 1998: minor stuff added (SdG)
!
#include "machine.h"
!
USE ions_base, ONLY : tau, nat, ntyp => nsp
USE io_global, ONLY : stdout
use pwcom
USE atom, ONLY : nlcc
......
......@@ -17,6 +17,8 @@ subroutine phq_summary
! if iverbosity = 0 only a partial summary is done.
!
#include"machine.h"
!
USE ions_base, ONLY : nat, ityp, atm, tau, ntyp => nsp
USE io_global, ONLY : stdout
use pwcom
USE atom, ONLY : numeric, mesh, msh, dx, r , rab, xmin, nlcc
......
......@@ -16,7 +16,8 @@ subroutine psidspsi (ik, uact, pdsp)
! and for each pattern u. It computes simultaneously all the bands.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp
USE pwcom
USE kinds, ONLY : DP
USE wavefunctions_module, ONLY : evc
......
......@@ -20,7 +20,8 @@ subroutine punch_plot_e
! in the variable fildrho given in input.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp, atm, zv, tau
USE io_global, ONLY : stdout
use pwcom
USE kinds, only : DP
......
......@@ -19,7 +19,8 @@ subroutine punch_plot_ph
! a file with the name in the variable fildrho# given in input.
!
#include "machine.h"
!
USE ions_base, ONLY : nat, ityp, ntyp => nsp, atm, zv, tau
USE io_global, ONLY : stdout
use pwcom
USE kinds, only : DP
......
......@@ -13,7 +13,7 @@ subroutine set_drhoc (q)
! used to calculate derivatives of the core charge
!
#include "machine.h"
USE ions_base, ONLY : ntyp => nsp
use pwcom
USE parameters, ONLY: ndmx
USE atom, ONLY : numeric, nlcc, msh, r, rab, rho_atc
......
......@@ -20,6 +20,8 @@ subroutine solve_e
! e) It computes Delta rho, Delta V_{SCF} and symmetrize them
!
#include "machine.h"
!
USE ions_base, ONLY : nat
USE io_global, ONLY : stdout
USE io_files, ONLY : iunigk
use pwcom
......
......@@ -20,31 +20,33 @@ subroutine solve_linter (irr, imode0, npe, drhoscf)
! e) It computes Delta rho, Delta V_{SCF} and symmetrize them
!
#include "machine.h"
USE io_global, ONLY: stdout
USE io_files, ONLY: iunigk
USE check_stop, ONLY: time_max => max_seconds
USE wavefunctions_module, ONLY: evc
USE constants, ONLY: degspin
USE kinds, ONLY: DP
USE control_flags, ONLY: reduce_io
USE becmod, ONLY: becp
!
USE ions_base, ONLY : nat
USE io_global, ONLY : stdout
USE io_files, ONLY : iunigk
USE check_stop, ONLY : time_max => max_seconds
USE wavefunctions_module, ONLY : evc
USE constants, ONLY : degspin
USE kinds, ONLY : DP
USE control_flags, ONLY : reduce_io
USE becmod, ONLY : becp
use pwcom
USE uspp_param, ONLY : nhm
! use phcom
use disp, ONLY : tr2_ph
USE control_ph, ONLY: iter0, niter_ph, nmix_ph, elph,