Commit 5682077c authored by Matthias Redies's avatar Matthias Redies

rename read_z_new -> read_z

parent d8329d8f
......@@ -109,7 +109,7 @@ CONTAINS
CALL z%init(olap%l_real, nbasfcn, input%neig)
CALL read_z_new(kpts,nk,jsp,z)
CALL read_z(kpts,nk,jsp,z)
! calculate exchange contribution of current k-point nk to total energy (te_hfex)
! in the case of a spin-unpolarized calculation the factor 2 is added in eigen.F90
......
......@@ -228,7 +228,7 @@
allocate(carr2(maxval(hybdat%nbands), (atoms%lmaxd + 1)**2))
allocate(carr3(maxval(hybdat%nbands), (atoms%lmaxd + 1)**2))
DO ikpt = 1, nkpti
call read_z_new(kpts,ikpt,jsp,z(ikpt))
call read_z(kpts,ikpt,jsp,z(ikpt))
END DO
iatom = 0
......
......@@ -186,7 +186,7 @@ CONTAINS
IF (input%neig < hybdat%nbands(nk)) call judft_error(' mhsfock: neigd < nbands(nk) ;trafo from wavefunctions to APW requires at least nbands(nk)')
call z%init(olap%l_real, nbasfcn, input%neig)
call read_z_new(kpts,nk,jsp,z)
call read_z(kpts,nk,jsp,z)
z%matsize2 = hybdat%nbands(nk) ! reduce "visible matsize" for the following computations
call olap%multiply(z, trafo)
......
......@@ -104,7 +104,7 @@ CONTAINS
! read in z coefficient from direct access file z at k-point nk
call read_z_new(kpts,nk,jsp,z)
call read_z(kpts,nk,jsp,z)
! construct local orbital consisting of radial function times spherical harmonic
! where the radial function vanishes on the MT sphere boundary
......@@ -845,7 +845,7 @@ CONTAINS
! read in z coefficients from direct access file z at kpoint nk
call read_z_new(kpts,nk,jsp,z)
call read_z(kpts,nk,jsp,z)
!CALL intgrf_init(atoms%ntype,atoms%jmtd,atoms%jri,atoms%dx,atoms%rmsh,hybdat%gridf)
gpt(:, 1:lapw%nv(jsp)) = lapw%gvec(:, 1:lapw%nv(jsp), jsp)
......
......@@ -123,8 +123,8 @@ CONTAINS
! read in z at k-point nk and nkqpt
call timestart("read_z")
CALL read_z_new(kpts,nk,jsp,z_nk)
call read_z_new(kpts,nkqpt,jsp,z_kqpt)
CALL read_z(kpts,nk,jsp,z_nk)
call read_z(kpts,nkqpt,jsp,z_kqpt)
call timestop("read_z")
g = maxval(abs(lapw%gvec(:, :lapw%nv(jsp), jsp)), dim=2) &
......
......@@ -126,8 +126,8 @@ CONTAINS
! read in z at k-point ik and nkqpt
call timestart("read_z")
call read_z_new(kpts,ik,jsp,z_nk)
call read_z_new(kpts,nkqpt,jsp,z_kqpt)
call read_z(kpts,ik,jsp,z_nk)
call read_z(kpts,nkqpt,jsp,z_kqpt)
call timestop("read_z")
g = maxval(abs(lapw%gvec(:,:lapw%nv(jsp), jsp)), dim=2) &
......
......@@ -179,16 +179,7 @@ contains
CALL write_matrix(mat, rec, id_olap)
END subroutine write_olap
subroutine read_z(mat, rec)
implicit none
TYPE(t_mat), INTENT(INOUT):: mat
INTEGER, INTENT(IN) :: rec
!print *,"read z:",rec
CALL read_matrix(mat, rec, id_z)
END subroutine read_z
subroutine read_z_new(kpts, ik, jsp, mat)
subroutine read_z(kpts, ik, jsp, mat)
use m_types_kpts
implicit none
type(t_kpts), intent(in) :: kpts
......@@ -200,7 +191,7 @@ contains
rec = kpts%nkptf * (jsp - 1) + ik
CALL read_matrix(mat, rec, id_z)
END subroutine read_z_new
END subroutine read_z
subroutine write_z(mat, rec)
implicit none
......
......@@ -564,7 +564,7 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,sliceplot,cell,atoms,enpara,stars
CALL read_eig(eig_id,ikpt,jspin,list=[(i,i=1,hybdat%nbands(ikpt))],neig=nbands,zmat=zMat)
! CALL read_z_new(kpts,ikpt,jsp,zMat)
! CALL read_z(kpts,ikpt,jsp,zMat)
zMat%matsize2 = hybdat%nbands(ikpt) ! reduce "visible matsize" for the following computations
CALL olap%multiply(zMat,trafo)
......
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