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quantum-espresso
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...and of course I forgot something 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7349 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2010-12-24 10:23:23 +00:00
parent 3ee0e520b6
commit 956e5fb6cc
12 changed files with 18 additions and 18 deletions
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2
GWW/head/solve_head.f90
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@ -32,7 +32,7 @@ subroutine solve_head
USE wannier_gw, ONLY : n_gauss, omega_gauss, grid_type USE wannier_gw, ONLY : n_gauss, omega_gauss, grid_type
USE control_ph, ONLY : tr2_ph USE control_ph, ONLY : tr2_ph
USE realus, ONLY : adduspos_r USE realus, ONLY : adduspos_r
USE reciprocal_vectors, ONLY : ig_l2g, mill_g USE gvect, ONLY : ig_l2g, mill_g
USE mp_global, ONLY : inter_pool_comm, intra_pool_comm USE mp_global, ONLY : inter_pool_comm, intra_pool_comm
USE mp, ONLY : mp_sum, mp_barrier, mp_bcast USE mp, ONLY : mp_sum, mp_barrier, mp_bcast
USE becmod, ONLY : calbec USE becmod, ONLY : calbec

6
GWW/pw4gww/cprim.f90
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@ -20,7 +20,7 @@
USE wavefunctions_module, ONLY : evc, psic USE wavefunctions_module, ONLY : evc, psic
USE fft_base, ONLY : dffts, dfftp USE fft_base, ONLY : dffts, dfftp
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE uspp, ONLY : nkb, vkb, okvan USE uspp, ONLY : nkb, vkb, okvan
USE realus, ONLY : adduspos_gamma_r USE realus, ONLY : adduspos_gamma_r
USE mp, ONLY : mp_sum USE mp, ONLY : mp_sum
@ -315,7 +315,7 @@ subroutine create_vcw_overlap(n_set, orthonorm,ecutoff)
USE wavefunctions_module, ONLY : evc, psic USE wavefunctions_module, ONLY : evc, psic
USE fft_base, ONLY : dffts, dfftp USE fft_base, ONLY : dffts, dfftp
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE uspp, ONLY : nkb, vkb, okvan USE uspp, ONLY : nkb, vkb, okvan
USE realus, ONLY : adduspos_gamma_r USE realus, ONLY : adduspos_gamma_r
USE mp, ONLY : mp_sum USE mp, ONLY : mp_sum
@ -552,7 +552,7 @@ subroutine create_upper_states(n_set, lzero, orthonorm,ecutoff)
USE wavefunctions_module, ONLY : evc, psic USE wavefunctions_module, ONLY : evc, psic
USE fft_base, ONLY : dffts, dfftp USE fft_base, ONLY : dffts, dfftp
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE uspp, ONLY : nkb, vkb, okvan USE uspp, ONLY : nkb, vkb, okvan
USE realus, ONLY : adduspos_gamma_r USE realus, ONLY : adduspos_gamma_r
USE mp, ONLY : mp_sum, mp_bcast USE mp, ONLY : mp_sum, mp_bcast

4
GWW/pw4gww/dft_exchange.f90
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@ -20,7 +20,7 @@ subroutine dft_exchange_k(nbnd_v,nbnd_s, ecutoff)
USE fft_base, ONLY : dffts, dfftp USE fft_base, ONLY : dffts, dfftp
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
USE gvect USE gvect
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE uspp USE uspp
USE wavefunctions_module, ONLY : psic, evc USE wavefunctions_module, ONLY : psic, evc
USE cell_base, ONLY : at, bg, omega USE cell_base, ONLY : at, bg, omega
@ -524,7 +524,7 @@ subroutine dft_exchange(nbnd_v,nbnd_s,n_set)
USE fft_base, ONLY : dffts, dfftp USE fft_base, ONLY : dffts, dfftp
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
USE gvect USE gvect
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE uspp USE uspp
USE wavefunctions_module, ONLY : psic, evc USE wavefunctions_module, ONLY : psic, evc
USE realus, ONLY : adduspos_gamma_r USE realus, ONLY : adduspos_gamma_r

2
GWW/pw4gww/energies_xc.f90
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@ -30,7 +30,7 @@ SUBROUTINE energies_xc( lda, n, m, e_xc, e_h )
USE wvfct, ONLY : igk, g2kin, ecutwfc USE wvfct, ONLY : igk, g2kin, ecutwfc
USE fft_base, ONLY : dffts USE fft_base, ONLY : dffts
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
USE gsmooth, ONLY : nls, doublegrid USE gvecs, ONLY : nls, doublegrid
USE gvect, ONLY : ngm, gstart, nl, nlm, g, gg, gcutm USE gvect, ONLY : ngm, gstart, nl, nlm, g, gg, gcutm
USE grid_dimensions, ONLY : nr1, nr2, nr3, nrxx USE grid_dimensions, ONLY : nr1, nr2, nr3, nrxx
USE cell_base, ONLY : alat, omega USE cell_base, ONLY : alat, omega

2
GWW/pw4gww/product_wannier.f90
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@ -22,7 +22,7 @@ SUBROUTINE product_wannier(nbndv)
USE io_files, ONLY : prefix USE io_files, ONLY : prefix
USE io_files, ONLY : tmp_dir, iunwfc, iunigk, diropn USE io_files, ONLY : tmp_dir, iunwfc, iunigk, diropn
USE io_global, ONLY : stdout USE io_global, ONLY : stdout
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
use mp_global, ONLY : nproc_pool, me_pool use mp_global, ONLY : nproc_pool, me_pool
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE us USE us

2
GWW/pw4gww/product_wannier_para.f90
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@ -28,7 +28,7 @@ SUBROUTINE product_wannier_para(nbndv, lcomplete, ene_loc, lambda)
USE io_files, ONLY : prefix USE io_files, ONLY : prefix
USE io_files, ONLY : tmp_dir, iunwfc, iunigk, diropn USE io_files, ONLY : tmp_dir, iunwfc, iunigk, diropn
USE io_global, ONLY : stdout, ionode USE io_global, ONLY : stdout, ionode
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
use mp_global, ONLY : nproc_pool, me_pool use mp_global, ONLY : nproc_pool, me_pool
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE us USE us

2
GWW/pw4gww/product_wannier_para_c.f90
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@ -28,7 +28,7 @@
USE io_files, ONLY : prefix USE io_files, ONLY : prefix
USE io_files, ONLY : tmp_dir, iunwfc, iunigk, diropn USE io_files, ONLY : tmp_dir, iunwfc, iunigk, diropn
USE io_global, ONLY : stdout, ionode USE io_global, ONLY : stdout, ionode
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
use mp_global, ONLY : nproc_pool, me_pool use mp_global, ONLY : nproc_pool, me_pool
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE us USE us

2
GWW/pw4gww/ultra_external.f90
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@ -14,7 +14,7 @@ subroutine ultra_external( nbnd_start, nbnd_end, radius, itask)
USE io_files, ONLY : find_free_unit,nwordwfc, iunwfc, prefix, diropn USE io_files, ONLY : find_free_unit,nwordwfc, iunwfc, prefix, diropn
USE io_global, ONLY : stdout, ionode_id USE io_global, ONLY : stdout, ionode_id
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE gvect, ONLY : gstart USE gvect, ONLY : gstart
use mp_global, ONLY : nproc_pool, me_pool use mp_global, ONLY : nproc_pool, me_pool
USE wvfct, ONLY : igk, g2kin, npwx, npw, nbnd, nbndx USE wvfct, ONLY : igk, g2kin, npwx, npw, nbnd, nbndx

2
GWW/pw4gww/ultralocalization.f90
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@ -17,7 +17,7 @@ SUBROUTINE ultralocalization(nbndv,ultra_thr,isubspace,max_array)
USE io_global, ONLY : stdout USE io_global, ONLY : stdout
USE smooth_grid_dimensions,ONLY: nr1s, nr2s, nr3s, nr1sx, nr2sx, nr3sx, & USE smooth_grid_dimensions,ONLY: nr1s, nr2s, nr3s, nr1sx, nr2sx, nr3sx, &
nrxxs nrxxs
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE grid_dimensions, ONLY : nr1, nr2, nr3, nr1x, nr2x, nr3x, nrxx USE grid_dimensions, ONLY : nr1, nr2, nr3, nr1x, nr2x, nr3x, nrxx
use mp_global, ONLY : nproc_pool, me_pool use mp_global, ONLY : nproc_pool, me_pool
USE wvfct, ONLY : igk, g2kin, npwx, npw, nbnd, nbndx USE wvfct, ONLY : igk, g2kin, npwx, npw, nbnd, nbndx

2
GWW/pw4gww/ultralocalization_para.f90
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@ -22,7 +22,7 @@ SUBROUTINE ultralocalization_para(nbndv,nbnd_max,ultra_thr,isubspace,max_array2,
USE io_files, ONLY : find_free_unit, diropn USE io_files, ONLY : find_free_unit, diropn
USE io_global, ONLY : stdout, ionode_id USE io_global, ONLY : stdout, ionode_id
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
use mp_global, ONLY : nproc_pool, me_pool use mp_global, ONLY : nproc_pool, me_pool
USE wvfct, ONLY : igk, g2kin, npwx, npw, nbnd, nbndx USE wvfct, ONLY : igk, g2kin, npwx, npw, nbnd, nbndx
USE basis USE basis

6
GWW/pw4gww/wannier_valence_terms.f90
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@ -23,7 +23,7 @@
USE fft_base, ONLY : dffts, dfftp USE fft_base, ONLY : dffts, dfftp
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
USE gvect USE gvect
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE uspp USE uspp
USE wavefunctions_module, ONLY : psic, evc USE wavefunctions_module, ONLY : psic, evc
USE realus, ONLY : adduspos_gamma_r USE realus, ONLY : adduspos_gamma_r
@ -387,7 +387,7 @@
USE fft_base, ONLY : dffts, dfftp USE fft_base, ONLY : dffts, dfftp
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
USE gvect USE gvect
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE uspp USE uspp
USE wavefunctions_module, ONLY : psic, evc USE wavefunctions_module, ONLY : psic, evc
USE realus, ONLY : adduspos_gamma_r USE realus, ONLY : adduspos_gamma_r
@ -837,7 +837,7 @@
USE fft_base, ONLY : dffts, dfftp USE fft_base, ONLY : dffts, dfftp
USE fft_interfaces, ONLY : fwfft, invfft USE fft_interfaces, ONLY : fwfft, invfft
USE gvect USE gvect
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE uspp USE uspp
USE wavefunctions_module, ONLY : psic, evc USE wavefunctions_module, ONLY : psic, evc
USE realus, ONLY : adduspos_gamma_r USE realus, ONLY : adduspos_gamma_r

4
GWW/pw4gww/wfc_real.f90
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@ -23,7 +23,7 @@ SUBROUTINE wfc_gamma_real(itask)
USE control_flags, ONLY : gamma_only USE control_flags, ONLY : gamma_only
USE fft_base, ONLY : dffts USE fft_base, ONLY : dffts
USE fft_interfaces, ONLY : invfft USE fft_interfaces, ONLY : invfft
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE io_files, ONLY : iunwfc, nwordwfc, iunigk USE io_files, ONLY : iunwfc, nwordwfc, iunigk
USE io_files, ONLY : find_free_unit, diropn USE io_files, ONLY : find_free_unit, diropn
USE wvfct, ONLY : nbnd, npwx, npw, igk, wg, et USE wvfct, ONLY : nbnd, npwx, npw, igk, wg, et
@ -187,7 +187,7 @@ SUBROUTINE wfc_gamma_real_after_rot(itask)
USE control_flags, ONLY : gamma_only USE control_flags, ONLY : gamma_only
USE fft_base, ONLY : dffts USE fft_base, ONLY : dffts
USE fft_interfaces, ONLY : invfft USE fft_interfaces, ONLY : invfft
USE gsmooth, ONLY : nls, nlsm, doublegrid USE gvecs, ONLY : nls, nlsm, doublegrid
USE io_files, ONLY : iunwfc, nwordwfc, iunigk USE io_files, ONLY : iunwfc, nwordwfc, iunigk
USE io_files, ONLY : find_free_unit, diropn USE io_files, ONLY : find_free_unit, diropn
USE wvfct, ONLY : nbnd, npwx, npw, igk, wg, et USE wvfct, ONLY : nbnd, npwx, npw, igk, wg, et