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Minor changes tothe qexml file format, by AF: in particular, added the 

flag reporting whether only half G-vector sphere is present (not
actually used in q-e but it may be useful for other codes). make.depend
updated


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4819 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2008-04-18 12:29:55 +00:00
parent f1983023f0
commit c85f1c444e
10 changed files with 123 additions and 26 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

18
CPV/cp_restart.f90
View File

@ -725,8 +725,8 @@ MODULE cp_restart
ib = iupdwn_tot( iss_wfc )
!
CALL write_wfc( iunout, ik_eff, nk*nspin, kunit, iss, nspin, &
ctot( :, ib : ib + nbnd_tot - 1 ), ngwt, nbnd_tot , &
ig_l2g, ngw, filename, scalef )
ctot( :, ib : ib + nbnd_tot - 1 ), ngwt, gamma_only,&
nbnd_tot, ig_l2g, ngw, filename, scalef )
!
END IF
!
@ -761,9 +761,9 @@ MODULE cp_restart
!
ib = iupdwn(iss_wfc)
!
CALL write_wfc( iunout, ik_eff, nk*nspin, kunit, iss, nspin, &
c02( :, ib : ib + nbnd_ - 1 ), ngwt, nbnd_ , &
ig_l2g, ngw, filename, scalef )
CALL write_wfc( iunout, ik_eff, nk*nspin, kunit, iss, nspin, &
c02( :, ib : ib + nbnd_ - 1 ), ngwt, gamma_only, &
nbnd_, ig_l2g, ngw, filename, scalef )
!
! Save wave function at time t - dt
!
@ -796,9 +796,9 @@ MODULE cp_restart
!
ib = iupdwn(iss_wfc)
!
CALL write_wfc( iunout, ik_eff, nk*nspin, kunit, iss, nspin, &
cm2( :, ib : ib + nbnd_ - 1 ), ngwt, nbnd_ , &
ig_l2g, ngw, filename, scalef )
CALL write_wfc( iunout, ik_eff, nk*nspin, kunit, iss, nspin, &
cm2( :, ib : ib + nbnd_ - 1 ), ngwt, gamma_only, &
nbnd_, ig_l2g, ngw, filename, scalef )
!
cspin = iotk_index( iss )
!
@ -2126,6 +2126,7 @@ MODULE cp_restart
SUBROUTINE write_gk( iun, ik, mill, filename )
!
USE gvecw, ONLY : ngw, ngwt
USE control_flags, ONLY : gamma_only
USE reciprocal_vectors, ONLY : ig_l2g, mill_l
USE mp, ONLY : mp_sum
USE mp_global, ONLY : intra_image_comm
@ -2186,6 +2187,7 @@ MODULE cp_restart
!
CALL iotk_write_dat( iun, "NUMBER_OF_GK-VECTORS", npw_g )
CALL iotk_write_dat( iun, "MAX_NUMBER_OF_GK-VECTORS", npwx_g )
CALL iotk_write_dat( iun, "GAMMA_ONLY", gamma_only )
!
CALL iotk_write_attr ( attr, "UNITS", "2 pi / a", FIRST = .TRUE. )
CALL iotk_write_dat( iun, "K-POINT_COORDS", xk(:), ATTR = attr )

6
D3/make.depend
View File

@ -10,6 +10,8 @@ bcast_d3_input.o : ../PH/phcom.o
bcast_d3_input.o : ../PW/pwcom.o
bcast_d3_input.o : d3com.o
ch_psi_all2.o : ../Modules/kind.o
ch_psi_all2.o : ../Modules/mp.o
ch_psi_all2.o : ../Modules/mp_global.o
ch_psi_all2.o : ../PH/phcom.o
ch_psi_all2.o : ../PW/becmod.o
ch_psi_all2.o : ../PW/pwcom.o
@ -188,6 +190,8 @@ drhod2v.o : ../PH/phcom.o
drhod2v.o : ../PW/pwcom.o
drhod2v.o : d3com.o
dvdpsi.o : ../Modules/ions_base.o
dvdpsi.o : ../Modules/mp.o
dvdpsi.o : ../Modules/mp_global.o
dvdpsi.o : ../Modules/uspp.o
dvdpsi.o : ../PH/phcom.o
dvdpsi.o : ../PW/pwcom.o
@ -201,6 +205,8 @@ dvscf.o : d3com.o
gen_dpdvp.o : ../Modules/io_files.o
gen_dpdvp.o : ../Modules/ions_base.o
gen_dpdvp.o : ../Modules/kind.o
gen_dpdvp.o : ../Modules/mp.o
gen_dpdvp.o : ../Modules/mp_global.o
gen_dpdvp.o : ../Modules/wavefunctions.o
gen_dpdvp.o : ../PH/phcom.o
gen_dpdvp.o : ../PW/pwcom.o

12
Gamma/make.depend
View File

@ -39,6 +39,8 @@ cgsolve.o : ../PW/becmod.o
d2ion.o : ../Modules/constants.o
d2ion.o : ../Modules/io_global.o
d2ion.o : ../Modules/kind.o
d2ion.o : ../Modules/mp.o
d2ion.o : ../Modules/mp_global.o
dgcxc.o : ../Modules/functionals.o
dgcxc.o : ../Modules/kind.o
dgcxc_spin.o : ../Modules/functionals.o
@ -46,8 +48,12 @@ dgcxc_spin.o : ../Modules/kind.o
dgradcorr.o : ../Modules/constants.o
dgradcorr.o : ../Modules/kind.o
dielec.o : ../Modules/ions_base.o
dielec.o : ../Modules/mp.o
dielec.o : ../Modules/mp_global.o
dielec.o : ../PW/pwcom.o
dielec.o : cgcom.o
drhodv.o : ../Modules/mp.o
drhodv.o : ../Modules/mp_global.o
drhodv.o : ../PW/pwcom.o
drhodv.o : cgcom.o
dvpsi_e.o : ../Modules/ions_base.o
@ -77,6 +83,8 @@ dynmatcc.o : ../Modules/cell_base.o
dynmatcc.o : ../Modules/constants.o
dynmatcc.o : ../Modules/ions_base.o
dynmatcc.o : ../Modules/kind.o
dynmatcc.o : ../Modules/mp.o
dynmatcc.o : ../Modules/mp_global.o
dynmatcc.o : ../Modules/uspp.o
dynmatcc.o : ../Modules/wavefunctions.o
dynmatcc.o : ../PW/pwcom.o
@ -106,8 +114,12 @@ phcg.o : ../PW/pwcom.o
phcg.o : ../PW/scf_mod.o
phcg.o : cgcom.o
pw_dot.o : ../Modules/kind.o
pw_dot.o : ../Modules/mp.o
pw_dot.o : ../Modules/mp_global.o
pw_dot.o : ../PW/pwcom.o
rhod2vkb.o : ../Modules/ions_base.o
rhod2vkb.o : ../Modules/mp.o
rhod2vkb.o : ../Modules/mp_global.o
rhod2vkb.o : ../Modules/uspp.o
rhod2vkb.o : ../Modules/wavefunctions.o
rhod2vkb.o : ../PW/becmod.o

12
Modules/xml_io_base.f90
View File

@ -999,7 +999,15 @@ MODULE xml_io_base
"./gvectors.dat", CREATE = .TRUE., BINARY = .TRUE. )
!
CALL iotk_write_begin( iunpun, "G-VECTORS" )
!
CALL iotk_write_attr( attr, "nr1s", nr1s, FIRST = .TRUE. )
CALL iotk_write_attr( attr, "nr2s", nr2s )
CALL iotk_write_attr( attr, "nr3s", nr3s )
CALL iotk_write_attr( attr, "gvect_number", ngm_g )
CALL iotk_write_attr( attr, "gamma_only", gamma_only )
CALL iotk_write_attr( attr, "units", "crystal" )
CALL iotk_write_empty( iunpun, "INFO", ATTR = attr )
!
CALL iotk_write_dat ( iunpun, "g", itmp(1:3,1:ngm_g), COLUMNS = 3 )
CALL iotk_write_end ( iunpun, "G-VECTORS" )
!
@ -1601,7 +1609,7 @@ MODULE xml_io_base
!
!------------------------------------------------------------------------
SUBROUTINE write_wfc( iuni, ik, nk, kunit, ispin, &
nspin, wf0, ngw, nbnd, igl, ngwl, filename, scalef )
nspin, wf0, ngw, gamma_only, nbnd, igl, ngwl, filename, scalef )
!------------------------------------------------------------------------
!
USE mp_wave, ONLY : mergewf
@ -1616,6 +1624,7 @@ MODULE xml_io_base
INTEGER, INTENT(IN) :: ik, nk, kunit, ispin, nspin
COMPLEX(DP), INTENT(IN) :: wf0(:,:)
INTEGER, INTENT(IN) :: ngw
LOGICAL, INTENT(IN) :: gamma_only
INTEGER, INTENT(IN) :: nbnd
INTEGER, INTENT(IN) :: ngwl
INTEGER, INTENT(IN) :: igl(:)
@ -1638,6 +1647,7 @@ MODULE xml_io_base
!
CALL iotk_write_attr( attr, "ngw", ngw, FIRST = .TRUE. )
CALL iotk_write_attr( attr, "igwx", igwx )
CALL iotk_write_attr( attr, "gamma_only", gamma_only )
CALL iotk_write_attr( attr, "nbnd", nbnd )
CALL iotk_write_attr( attr, "ik", ik )
CALL iotk_write_attr( attr, "nk", nk )

10
PP/make.depend
View File

@ -4,12 +4,16 @@ add_shift_cc.o : ../Modules/constants.o
add_shift_cc.o : ../Modules/control_flags.o
add_shift_cc.o : ../Modules/ions_base.o
add_shift_cc.o : ../Modules/kind.o
add_shift_cc.o : ../Modules/mp.o
add_shift_cc.o : ../Modules/mp_global.o
add_shift_cc.o : ../Modules/uspp.o
add_shift_cc.o : ../Modules/wavefunctions.o
add_shift_cc.o : ../PW/pwcom.o
add_shift_cc.o : ../PW/scf_mod.o
add_shift_lc.o : ../Modules/constants.o
add_shift_lc.o : ../Modules/kind.o
add_shift_lc.o : ../Modules/mp.o
add_shift_lc.o : ../Modules/mp_global.o
add_shift_us.o : ../Modules/cell_base.o
add_shift_us.o : ../Modules/control_flags.o
add_shift_us.o : ../Modules/io_files.o
@ -24,6 +28,8 @@ add_shift_us.o : ../PW/pwcom.o
addusdens1d.o : ../Modules/cell_base.o
addusdens1d.o : ../Modules/ions_base.o
addusdens1d.o : ../Modules/kind.o
addusdens1d.o : ../Modules/mp.o
addusdens1d.o : ../Modules/mp_global.o
addusdens1d.o : ../Modules/uspp.o
addusdens1d.o : ../PW/pwcom.o
atomic_wfc_nc_proj.o : ../Modules/cell_base.o
@ -60,6 +66,8 @@ bands.o : ../PW/noncol.o
bands.o : ../PW/pwcom.o
cft.o : ../Modules/kind.o
cgracsc.o : ../Modules/kind.o
cgracsc.o : ../Modules/mp.o
cgracsc.o : ../Modules/mp_global.o
cgracsc.o : ../Modules/pseudo_types.o
cgracsc.o : ../Modules/uspp.o
cgracsc.o : ../PW/pwcom.o
@ -126,6 +134,8 @@ do_initial_state.o : ../PW/pwcom.o
do_initial_state.o : ../PW/scf_mod.o
do_shift_ew.o : ../Modules/constants.o
do_shift_ew.o : ../Modules/kind.o
do_shift_ew.o : ../Modules/mp.o
do_shift_ew.o : ../Modules/mp_global.o
dos.o : ../Modules/constants.o
dos.o : ../Modules/io_files.o
dos.o : ../Modules/io_global.o

73
PP/qexml.f90
View File

@ -58,9 +58,6 @@ MODULE qexml_module
!
! end of declarations
!
!XXXX
PUBLIC :: qexml_basename
PUBLIC :: qexml_current_version, qexml_default_version
PUBLIC :: qexml_current_version_init
!
@ -935,7 +932,14 @@ CONTAINS
CREATE = .TRUE., BINARY = .TRUE. )
!
CALL iotk_write_begin( ounit, "G-VECTORS" )
!
CALL iotk_write_attr( attr, "nr1s", nr1s, FIRST = .TRUE. )
CALL iotk_write_attr( attr, "nr2s", nr2s )
CALL iotk_write_attr( attr, "nr3s", nr3s )
CALL iotk_write_attr( attr, "gamma_only", gamma_only )
CALL iotk_write_attr( attr, "units", "crystal" )
CALL iotk_write_empty( ounit, "INFO", ATTR = attr )
!
CALL iotk_write_dat ( ounit, "g", igv(1:3,1:ngm), COLUMNS = 3 )
CALL iotk_write_end ( ounit, "G-VECTORS" )
!
@ -952,11 +956,12 @@ CONTAINS
!
!
!------------------------------------------------------------------------
SUBROUTINE qexml_write_gk( ik, npwk, npwkx, xk, k_units, index, igk )
SUBROUTINE qexml_write_gk( ik, npwk, npwkx, gamma_only, xk, k_units, index, igk )
!------------------------------------------------------------------------
!
INTEGER, INTENT(IN) :: ik
INTEGER, INTENT(IN) :: npwk, npwkx
LOGICAL, INTENT(IN) :: gamma_only
REAL(dbl), INTENT(IN) :: xk(3)
CHARACTER(*), INTENT(IN) :: k_units
LOGICAL, INTENT(IN) :: index(:), igk(:,:)
@ -972,6 +977,7 @@ CONTAINS
!
CALL iotk_write_dat( iunaux, "NUMBER_OF_GK-VECTORS", npwk )
CALL iotk_write_dat( iunaux, "MAX_NUMBER_OF_GK-VECTORS", npwkx )
CALL iotk_write_dat( iunaux, "GAMMA_ONLY", gamma_only )
!
CALL iotk_write_attr ( attr, "UNITS", TRIM(k_units), FIRST = .TRUE. )
CALL iotk_write_dat( iunaux, "K-POINT_COORDS", xk, ATTR = attr )
@ -1290,7 +1296,7 @@ CONTAINS
!
!------------------------------------------------------------------------
SUBROUTINE qexml_write_wfc( nbnd, nkpts, nspin, ik, ispin, ipol, igk, ngw, igwx, &
wf, wf_kindip, scale_factor )
gamma_only, wf, wf_kindip, scale_factor )
!------------------------------------------------------------------------
!
IMPLICIT NONE
@ -1299,6 +1305,7 @@ CONTAINS
INTEGER, INTENT(IN) :: ik
INTEGER, OPTIONAL, INTENT(IN) :: ispin, ipol
INTEGER, INTENT(IN) :: ngw, igwx
LOGICAL, INTENT(IN) :: gamma_only
INTEGER, OPTIONAL, INTENT(IN) :: igk(:)
COMPLEX(dbl), OPTIONAL, INTENT(IN) :: wf(:,:)
COMPLEX(dbl), OPTIONAL, INTENT(IN) :: wf_kindip(:,:)
@ -1343,6 +1350,7 @@ CONTAINS
!
CALL iotk_write_attr( attr, "ngw", ngw, FIRST = .TRUE. )
CALL iotk_write_attr( attr, "igwx", igwx )
CALL iotk_write_attr( attr, "gamma_only", gamma_only )
CALL iotk_write_attr( attr, "nbnd", nbnd )
CALL iotk_write_attr( attr, "ik", ik )
CALL iotk_write_attr( attr, "nk", nkpts )
@ -2062,11 +2070,12 @@ CONTAINS
!
!
!------------------------------------------------------------------------
SUBROUTINE qexml_read_gk( ik, npwk, npwkx, xk, k_units, index, igk, ierr )
SUBROUTINE qexml_read_gk( ik, npwk, npwkx, gamma_only, xk, k_units, index, igk, ierr )
!------------------------------------------------------------------------
!
INTEGER, INTENT(IN) :: ik
INTEGER, OPTIONAL, INTENT(OUT) :: npwk, npwkx
LOGICAL, OPTIONAl, INTENT(OUT) :: gamma_only
REAL(dbl), OPTIONAL, INTENT(OUT) :: xk(3)
CHARACTER(*), OPTIONAL, INTENT(OUT) :: k_units
INTEGER, OPTIONAL, INTENT(OUT) :: igk(:,:), index(:)
@ -2074,6 +2083,7 @@ CONTAINS
!
CHARACTER(256) :: filename, k_units_
INTEGER :: npwk_, npwkx_
LOGICAL :: gamma_only_
REAL(dbl) :: xk_(3)
INTEGER :: iunaux
!
@ -2092,6 +2102,22 @@ CONTAINS
CALL iotk_scan_dat( iunaux, 'MAX_NUMBER_OF_GK-VECTORS', npwkx_, IERR=ierr)
IF (ierr/=0) RETURN
!
IF ( qexml_version_before_1_4_0 ) THEN
!
IF ( PRESENT( gamma_only ) ) THEN
!
CALL qexml_read_planewaves( GAMMA_ONLY=gamma_only_, IERR=ierr)
IF (ierr/=0) RETURN
!
ENDIF
!
ELSE
!
CALL iotk_scan_dat( iunaux, 'GAMMA_ONLY', gamma_only_, IERR=ierr)
IF (ierr/=0) RETURN
!
ENDIF
!
CALL iotk_scan_dat( iunaux, 'K-POINT_COORDS', xk_, ATTR=attr, IERR=ierr)
IF (ierr/=0) RETURN
CALL iotk_scan_attr( attr, 'UNITS', k_units_, IERR=ierr)
@ -2115,10 +2141,11 @@ CONTAINS
IF (ierr/=0) RETURN
!
!
IF ( PRESENT( npwk ) ) npwk = npwk_
IF ( PRESENT( npwkx ) ) npwkx = npwkx_
IF ( PRESENT( xk ) ) xk(1:3) = xk_(1:3)
IF ( PRESENT( k_units ) ) k_units = TRIM(k_units_)
IF ( PRESENT( npwk ) ) npwk = npwk_
IF ( PRESENT( npwkx ) ) npwkx = npwkx_
IF ( PRESENT( gamma_only ) ) gamma_only = gamma_only_
IF ( PRESENT( xk ) ) xk(1:3) = xk_(1:3)
IF ( PRESENT( k_units ) ) k_units = TRIM(k_units_)
!
END SUBROUTINE qexml_read_gk
!
@ -2682,7 +2709,7 @@ CONTAINS
!
!------------------------------------------------------------------------
SUBROUTINE qexml_read_wfc( ibnds, ibnde, ik, ispin, ipol, igk, ngw, igwx, &
wf, wf_kindip, ierr )
gamma_only, wf, wf_kindip, ierr )
!------------------------------------------------------------------------
!
! read wfc from IBNDS to IBNDE, for kpt IK and spin ISPIN
@ -2693,11 +2720,13 @@ CONTAINS
INTEGER, OPTIONAL, INTENT(IN) :: ispin, ipol
INTEGER, OPTIONAL, INTENT(IN) :: igk(:)
INTEGER, OPTIONAL, INTENT(OUT) :: ngw, igwx
LOGICAL, OPTIONAL, INTENT(OUT) :: gamma_only
COMPLEX(dbl), OPTIONAL, INTENT(OUT) :: wf(:,:), wf_kindip(:,:)
INTEGER, INTENT(OUT) :: ierr
!
INTEGER :: iunaux
INTEGER :: ngw_, igwx_, ig, ib, lindex
LOGICAL :: gamma_only_
COMPLEX(dbl), ALLOCATABLE :: wf_(:)
CHARACTER(256) :: filename
@ -2745,6 +2774,23 @@ CONTAINS
IF (ierr/=0) RETURN
!
!
IF ( qexml_version_before_1_4_0 ) THEN
!
IF ( PRESENT( gamma_only ) ) THEN
!
CALL qexml_read_planewaves( GAMMA_ONLY=gamma_only_, IERR=ierr)
IF (ierr/=0) RETURN
!
ENDIF
!
ELSE
!
CALL iotk_scan_attr( attr, 'gamma_only', gamma_only_, IERR=ierr)
IF (ierr/=0) RETURN
!
ENDIF
!
!
IF ( PRESENT( wf ) ) THEN
!
lindex = 0
@ -2808,8 +2854,9 @@ CONTAINS
IF (ierr/=0) RETURN
!
!
IF ( PRESENT( ngw ) ) ngw = ngw_
IF ( PRESENT( igwx ) ) igwx = igwx_
IF ( PRESENT( ngw ) ) ngw = ngw_
IF ( PRESENT( igwx ) ) igwx = igwx_
IF ( PRESENT( gamma_only ) ) gamma_only = gamma_only_
!
END SUBROUTINE qexml_read_wfc
!

10
PW/pw_restart.f90
View File

@ -740,6 +740,7 @@ MODULE pw_restart
!
CALL iotk_write_dat( iun, "NUMBER_OF_GK-VECTORS", ngk_g(ik) )
CALL iotk_write_dat( iun, "MAX_NUMBER_OF_GK-VECTORS", npwx_g )
CALL iotk_write_dat( iun, "GAMMA_ONLY", gamma_only )
!
CALL iotk_write_attr ( attr, "UNITS", "2 pi / a", FIRST = .TRUE. )
CALL iotk_write_dat( iun, "K-POINT_COORDS", xk(:,ik), ATTR = attr )
@ -793,7 +794,7 @@ MODULE pw_restart
END IF
!
CALL write_wfc( iunout, ik, nkstot, kunit, ispin, nspin, &
evc, npw_g, nbnd, igk_l2g_kdip(:,ik-iks+1), &
evc, npw_g, gamma_only, nbnd, igk_l2g_kdip(:,ik-iks+1), &
ngk(ik-iks+1), filename, 1.D0 )
!
ik_eff = ik + num_k_points
@ -820,7 +821,7 @@ MODULE pw_restart
END IF
!
CALL write_wfc( iunout, ik_eff, nkstot, kunit, ispin, nspin, &
evc, npw_g, nbnd, igk_l2g_kdip(:,ik_eff-iks+1), &
evc, npw_g, gamma_only, nbnd, igk_l2g_kdip(:,ik_eff-iks+1), &
ngk(ik_eff-iks+1), filename, 1.D0 )
!
ELSE
@ -852,7 +853,7 @@ MODULE pw_restart
nkl=(ipol-1)*npwx+1
nkr= ipol *npwx
CALL write_wfc( iunout, ik, nkstot, kunit, ipol, npol, &
evc(nkl:nkr,:), npw_g, nbnd, &
evc(nkl:nkr,:), npw_g, gamma_only, nbnd, &
igk_l2g_kdip(:,ik-iks+1), ngk(ik-iks+1), &
filename, 1.D0 )
!
@ -875,7 +876,8 @@ MODULE pw_restart
END IF
!
CALL write_wfc( iunout, ik, nkstot, kunit, ispin, nspin, &
evc, npw_g, nbnd, igk_l2g_kdip(:,ik-iks+1), &
evc, npw_g, gamma_only, nbnd, &
igk_l2g_kdip(:,ik-iks+1), &
ngk(ik-iks+1), filename, 1.D0 )
!
END IF

1
PWCOND/make.depend
View File

@ -93,6 +93,7 @@ print_clock_pwcond.o : ../Modules/io_global.o
print_clock_pwcond.o : ../Modules/mp_global.o
print_clock_pwcond.o : condcom.o
rotproc.o : ../Modules/kind.o
rotproc.o : ../Modules/mp.o
rotproc.o : ../Modules/mp_global.o
rotproc.o : ../Modules/parallel_include.o
rotproc.o : ../PW/noncol.o

6
VdW/make.depend
View File

@ -3,7 +3,11 @@ allocate_vdw.o : ../PW/pwcom.o
allocate_vdw.o : vdwcom.o
cegterg.o : ../Modules/io_global.o
cegterg.o : ../Modules/kind.o
cegterg.o : ../Modules/mp.o
cegterg.o : ../Modules/mp_global.o
ch_psi_all.o : ../Modules/kind.o
ch_psi_all.o : ../Modules/mp.o
ch_psi_all.o : ../Modules/mp_global.o
ch_psi_all.o : ../PH/phcom.o
ch_psi_all.o : ../PW/becmod.o
ch_psi_all.o : ../PW/pwcom.o
@ -30,6 +34,8 @@ dv_of_drho.o : vdwcom.o
dvpsi_e.o : ../Modules/io_global.o
dvpsi_e.o : ../Modules/ions_base.o
dvpsi_e.o : ../Modules/kind.o
dvpsi_e.o : ../Modules/mp.o
dvpsi_e.o : ../Modules/mp_global.o
dvpsi_e.o : ../Modules/uspp.o
dvpsi_e.o : ../PH/phcom.o
dvpsi_e.o : ../PW/becmod.o

1
atomic/make.depend
View File

@ -230,6 +230,7 @@ newd_at.o : ../Modules/kind.o
newd_at.o : ../Modules/radial_grids.o
newd_at.o : ld1inc.o
nodenum.o : ../Modules/kind.o
normalize.o : ../Modules/io_global.o
normalize.o : ../Modules/kind.o
normalize.o : ../Modules/radial_grids.o
normalize.o : ld1inc.o