mirror of https://gitlab.com/QEF/q-e.git
Merge branch 'master' into 'develop'
Variable "npw" made explicitly local in a few places See merge request QEF/q-e!432
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commit
6679a6f98b
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@ -31,7 +31,6 @@ SUBROUTINE hp_ef_shift (drhoscf, ldos, ldoss, dos_ef, dbecsum, becsum1)
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USE gvect, ONLY : gg
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USE buffers, ONLY : get_buffer, save_buffer
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USE lsda_mod, ONLY : nspin
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USE wvfct, ONLY : npw, npwx, et
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USE klist, ONLY : degauss, ngauss, ngk
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USE noncollin_module, ONLY : noncolin, npol, nspin_mag, nspin_lsda
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USE mp_bands, ONLY : intra_bgrp_comm
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@ -51,7 +51,7 @@ PROGRAM do_ppacf
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USE funct, ONLY : xc,xc_spin,gcxc,gcx_spin,gcc_spin,dft_is_nonlocc,nlc
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USE funct, ONLY : get_iexch, get_icorr, get_igcx, get_igcc
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USE funct, ONLY : set_exx_fraction,set_auxiliary_flags,enforce_input_dft
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USE wvfct, ONLY : npw, npwx
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USE wvfct, ONLY : npwx
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USE environment, ONLY : environment_start, environment_end
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USE kernel_table, ONLY : Nqs, vdw_table_name, kernel_file_name
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USE vdW_DF, ONLY : get_potential, vdW_energy
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@ -110,6 +110,7 @@ PROGRAM do_ppacf
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REAL(DP), ALLOCATABLE :: tot_grad_rho(:,:),grad_rho(:,:,:)
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REAL(DP), ALLOCATABLE :: tot_rho(:)
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INTEGER :: npw ! number of plane waves
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INTEGER :: ik ! counter on k points
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INTEGER, ALLOCATABLE :: igk_buf(:)
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REAL(dp), ALLOCATABLE :: gk(:) ! work space
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@ -23,7 +23,7 @@ SUBROUTINE stres_mgga( sigmaxc )
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USE klist, ONLY : nks, xk, ngk
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USE buffers, ONLY : get_buffer
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USE io_files, ONLY : iunwfc, nwordwfc
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USE wvfct, ONLY : nbnd, npwx, npw, wg
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USE wvfct, ONLY : nbnd, npwx, wg
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USE lsda_mod, ONLY : lsda, nspin, current_spin, isk
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USE fft_interfaces, ONLY : fwfft, invfft
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USE fft_base, ONLY : dfftp, dffts
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@ -37,7 +37,7 @@ SUBROUTINE stres_mgga( sigmaxc )
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!
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! Internal variables
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!
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INTEGER :: ix, iy, ir, ipol, iss, incr, ibnd, ik
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INTEGER :: ix, iy, ir, ipol, iss, incr, ibnd, ik, npw
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INTEGER :: ipol2xy(3,3)
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REAL(DP), PARAMETER :: epsr = 1.0d-6, epsg = 1.0d-10, e2 = 2.d0
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COMPLEX(DP), ALLOCATABLE :: gradwfc (:,:), crosstaus(:,:,:)
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