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Minor phonon cleanup. ZDOTC declared external. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5424 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2009-02-16 09:12:59 +00:00
parent ecc563e6a3
commit 388d41a16b
15 changed files with 25 additions and 15 deletions
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2
PH/add_zstar_ue.f90
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@ -41,7 +41,7 @@ subroutine add_zstar_ue (imode0, npe)
real(DP) :: weight
complex(DP) :: ZDOTC
complex(DP), external :: ZDOTC
call start_clock('add_zstar_ue')
zstarue0_rec=(0.0_DP,0.0_DP)

3
PH/cgsolve_all.f90
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@ -100,9 +100,10 @@ subroutine cgsolve_all (h_psi, cg_psi, e, d0psi, dpsi, h_diag, &
! the delta gradient
! the conjugate gradient
! work space
complex(DP) :: dcgamma, dclambda, ZDOTC
complex(DP) :: dcgamma, dclambda
! the ratio between rho
! step length
complex(DP), external :: ZDOTC
! the scalar product
real(DP), allocatable :: rho (:), rhoold (:), eu (:), a(:), c(:)
! the residue

3
PH/chi_test.f90
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@ -30,7 +30,8 @@ subroutine chi_test (dvscfs, chif, ik, depsi, auxr, auxg)
complex(DP) :: dvscfs(nrxxs,3), chif(npwx,nbnd,6), depsi(npwx,nbnd,3), &
auxr(nrxxs), auxg(npwx)
complex(DP) :: tmp, ZDOTC
complex(DP) :: tmp
complex(DP), EXTERNAL :: ZDOTC
complex(DP) , allocatable :: ps1(:,:,:), ps2(:,:,:), &
ps3(:,:,:,:), ps4(:,:,:), au2r(:)
integer :: ip, jp, ib, jb, ipa, ipb, nrec, ir, ig

3
PH/dhdrhopsi.f90
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@ -96,9 +96,10 @@ subroutine dhdrhopsi
! potential on the smooth grid
! auxiliary wavefunct. in real space
! scalar products
complex(DP) :: itdba, tmpc, ZDOTC
complex(DP) :: itdba, tmpc
! i / ( 2 * delta_xk )
! working space
complex(DP), EXTERNAL :: ZDOTC
! the scalar product function
allocate (et_sw (nbnd) )

2
PH/dielec.f90
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@ -39,7 +39,7 @@ subroutine dielec()
! counter on k points
real(DP) :: w, weight, chi(3,3)
complex(DP) :: ZDOTC
complex(DP), external :: ZDOTC
call start_clock ('dielec')
epsilon(:,:) = 0.d0

2
PH/dielec_test.f90
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@ -36,7 +36,7 @@ subroutine dielec_test
integer :: ibnd, ipol, jpol, nrec, ik, i1, i2
real(DP) :: w_, weight, tmp
complex(DP) :: ZDOTC
complex(DP), external :: ZDOTC
epsilon (:,:) = 0.d0
if (nksq > 1) rewind (unit=iunigk)

3
PH/dvpsi_e2.f90
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@ -58,9 +58,10 @@ subroutine dvpsi_e2
complex(DP), pointer :: aux6s (:,:), aux6 (:,:)
! function on the real space smooth-mesh
! function on the real space thick-mesh
complex(DP) :: tmp, weight, ZDOTC
complex(DP) :: tmp, weight
! working space
! weight in k-point summation
complex(DP), EXTERNAL :: ZDOTC
! the scalar product function
!
call start_clock('dvpsi_e2')

2
PH/dvqpsi_us_only.f90
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@ -14,6 +14,8 @@ subroutine dvqpsi_us_only (ik, mode, uact)
! with a given q. The displacements are described by a vector uact.
! The result is stored in dvpsi. The routine is called for each k point
! and for each pattern u. It computes simultaneously all the bands.
! This routine implements Eq. B29 of PRB 64, 235118 (2001).
! Only the contribution of the nonlocal potential is calculated here.
!
#include "f_defs.h"
!

3
PH/find_mode_sym.f90
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@ -53,8 +53,9 @@ INTEGER :: &
INTEGER, ALLOCATABLE :: istart(:)
REAL(DP) :: sr(3,3,48)
COMPLEX(DP) :: ZDOTC, times ! safe dimension
COMPLEX(DP) :: times ! safe dimension
! in case of accidental degeneracy
COMPLEX(DP), EXTERNAL :: ZDOTC
REAL(DP), ALLOCATABLE :: w1(:)
COMPLEX(DP), ALLOCATABLE :: rmode(:), trace(:,:), z(:,:)
LOGICAL :: is_linear

3
PH/gmressolve_all.f90
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@ -104,9 +104,10 @@ subroutine gmressolve_all (h_psi, cg_psi, e, d0psi, dpsi, h_diag, &
! the delta gradient
! the conjugate gradient
! work space
complex(kind=DP) :: bk, ak, ZDOTC
complex(kind=DP) :: bk, ak
! the ratio between rho
! step length
complex(kind=DP), external :: ZDOTC
! the scalar product
real(kind=DP) :: t
complex(kind=DP):: c, s, ei

2
PH/pcgreen.f90
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@ -53,7 +53,7 @@ subroutine pcgreen (avg_iter, thresh, ik, et_ )
real(DP) , allocatable :: h_diag(:,:)
! the diagonal part of the Hamiltonian
complex(DP) :: ZDOTC
complex(DP), external :: ZDOTC
! the scalar product function
complex(DP) , allocatable :: ps(:,:), auxg (:)

2
PH/polariz.f90
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@ -45,7 +45,7 @@ subroutine polariz ( iw )
! counter on k points
real(kind=DP) :: w, weight
complex(kind=DP) :: ZDOTC
complex(kind=DP), EXTERNAL :: ZDOTC
call start_clock ('polariz')
epsilon(:,:) = 0.d0

3
PH/punch_plot_ph.f90
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@ -53,7 +53,8 @@ SUBROUTINE punch_plot_ph()
REAL(DP), ALLOCATABLE :: raux (:)
! auxiliary vector
COMPLEX(DP) :: ps, ZDOTC
COMPLEX(DP) :: ps
COMPLEX(DP), EXTERNAL :: ZDOTC
COMPLEX(DP), ALLOCATABLE :: aux (:,:,:), aux1 (:,:)
! the scalar product
! scalar product function

3
PH/raman_mat.f90
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@ -64,8 +64,9 @@ subroutine raman_mat
! pattern of atomic displacements
! array of wavefunctions
! swap space
complex(DP) :: tmpc, ZDOTC
complex(DP) :: tmpc
! the scalar product function
complex(DP), EXTERNAL :: ZDOTC
allocate (wrk (6,3*nat,2) )
allocate (matram (3,3,3,nat) )

4
PH/solve_e2.f90
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@ -33,7 +33,7 @@ subroutine solve_e2
USE qpoint, ONLY : npwq, igkq, nksq
USE control_ph, ONLY : convt, nmix_ph, alpha_mix, nbnd_occ, tr2_ph, &
niter_ph, lgamma, rec_code, flmixdpot
USE units_ph, ONLY : lrwfc, iuwfc, iunrec, this_pcxpsi_is_on_file
USE units_ph, ONLY : lrwfc, iuwfc
USE ramanm, ONLY : lrba2, iuba2, lrd2w, iud2w
USE recover_mod, ONLY : read_rec, write_rec
@ -59,7 +59,7 @@ subroutine solve_e2
! auxiliary space
! auxiliary space
complex(DP) :: ZDOTC
complex(DP), external :: ZDOTC
! the scalar product function
logical :: exst