mirror of https://gitlab.com/QEF/q-e.git
Makefile and module names updated; format P should be 1P
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2873 c92efa57-630b-4861-b058-cf58834340f0
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@ -94,7 +94,7 @@ MODULES = \
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../Modules/io_files.o \
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../Modules/pseudo_types.o \
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../Modules/random_numbers.o \
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../Modules/readpseudo.o \
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../Modules/read_upf.o \
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../Modules/version.o \
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../Modules/parameters.o ../Modules/parallel_include.o
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@ -99,7 +99,7 @@ subroutine c6_tfvw (mesh, zed, dx, r, r2, rho)
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!
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call dvxc_dn(mesh, rho, dvxc)
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!
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!write(*,'(PE20.12)')sum(abs(dvxc))
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!write(*,'(1PE20.12)')sum(abs(dvxc))
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!stop
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write(6,'(5x,''Frequency dependent polarizability is written into freq-pol.dat'',/)')
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@ -163,7 +163,7 @@ subroutine c6_tfvw (mesh, zed, dx, r, r2, rho)
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! write (*,'(4e16.6)') alpha, dalpha, error, error2
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end do
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write (1,'(17x, f8.4, 3x, PE14.6, 9x, PE14.6)') u, pp(mesh)*0.529177**3, pp(mesh)
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write (1,'(17x, f8.4, 3x, 1PE14.6, 9x, 1PE14.6)') u, pp(mesh)*0.529177**3, pp(mesh)
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if (iu .eq. 0) &
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write (6,'(5x, "Static polarizability: ", f10.5, " (in angstrom^3) --->", f10.5,&
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& " (in e^2a0^3)")') pp(mesh)*0.529177**3, pp(mesh)
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@ -208,7 +208,7 @@ subroutine veff_of_rho(mesh,dx,r,r2,rho,y,veff)
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! local variables
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!
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real (kind=8), allocatable :: vold(:)
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real (kind=8) :: dx2, error
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real (kind=8) :: dx2, error
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integer i, iter, k
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!
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@ -128,7 +128,7 @@ subroutine ld1_setup
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do n=1,nwfs
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if (.not.new(n)) then
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if (abs(oc(nstoae(n))-ocs(n)) > 1.0d-8 ) call errore &
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('ld1_setup','mismatched all-electron/pseudo occupations',n)
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('ld1_setup','mismatched all-electron/pseudo occupations',n)
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endif
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enddo
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endif
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@ -21,7 +21,7 @@ subroutine read_pseudoupf
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use funct, only: set_dft_from_name
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!
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use pseudo_types
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use read_pseudo_module
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use read_upf_module
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!
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implicit none
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!
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