git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@487 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2004-01-16 09:18:28 +00:00
parent cd8242ad9a
commit 142e408451
5 changed files with 35 additions and 5 deletions

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@ -10,7 +10,12 @@
subroutine read_ncpp (np, iunps)
!-----------------------------------------------------------------------
!
use pwcom
use parameters, only: dp, nchix, lmaxx, ndm
use atom, only: zmesh, mesh, xmin, dx, r, rab, vnl, chi, oc, nchi, &
lchi, rho_at, rho_atc, numeric
use char, only: psd
use nl_c_c,only: nlcc, a_nlcc, b_nlcc, alpha_nlcc
use pseud, only: cc, alpc, zp, aps, alps, nlc, nnl, lmax, lloc, bhstype
use funct
implicit none

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@ -9,7 +9,13 @@ subroutine read_pseudo (is, iunps, ierr)
!
! PWSCF modules
!
use pwcom
use atom, only: zmesh, mesh,dx, r, rab, vnl, chi, oc, nchi, lchi, &
rho_at, rho_atc
use char, only: psd
use pseud, only: zp, lmax, lloc
use nl_c_c,only: nlcc
use us, only: dion, betar, qqq, qfcoef, qfunc, nqf, nqlc, rinner, &
nh, nbeta, kkbeta, lll, tvanp
use funct
!
use pseudo_types

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@ -14,7 +14,16 @@ subroutine readnewvan (is, iunps)
! pseudopotential from the file produced by the atomic program.
! It is compatible only with the ld1 atomic code
!
use pwcom
use parameters, only: dp, nchix, lmaxx, nbrx, ndm, npsx, lqmax
use constants, only: fpi
use atom, only: zmesh, mesh, xmin, dx, r, rab, vnl, chi, oc, nchi, &
lchi, rho_at, rho_atc
use char, only: psd
use pseud, only: zp, lmax, lloc
use nl_c_c,only: nlcc
use us, only: dion, betar, qqq, qfcoef, qfunc, nqlc, rinner, &
nh, nbeta, kkbeta, lll, tvanp
use funct
!
implicit none

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@ -17,7 +17,14 @@ subroutine readvan (is, iunps)
! In particular the Herman Skillman mesh is no more supported.
! It assume multiple rinner values.
!
use pwcom
use parameters, only: dp, nchix, lmaxx, nbrx, ndm, npsx, nqfm, lqmax
use atom, only: zmesh, mesh,dx, r, rab, vnl, chi, oc, nchi, lchi, &
rho_at, rho_atc
use char, only: psd
use pseud, only: zp, lmax, lloc
use nl_c_c,only: nlcc
use us, only: dion, betar, qqq, qfcoef, qfunc, nqf, nqlc, rinner, &
nh, nbeta, kkbeta, lll, tvanp, iver, ifqopt
use funct
implicit none

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@ -11,7 +11,10 @@ subroutine remove_atomic_rho
#include "machine.h"
USE io_global, ONLY: stdout
USE io_files, ONLY: output_drho
use pwcom
USE parameters, ONLY: DP
USE gvect, ONLY: nrxx
USE lsda_mod, ONLY: lsda, nspin
USE scf, ONLY: rho
implicit none
integer :: ir
! do-loop variable on FFT grid