Commit 80fc019a authored by Matthias Redies's avatar Matthias Redies

drop v_x disc IO

parent 60267d6b
......@@ -81,10 +81,7 @@ CONTAINS
! initialize weighting factor for HF exchange part
a_ex = xcpot%get_exchange_weight()
nbasfcn = MERGE(lapw%nv(1) + lapw%nv(2) + 2*fi%atoms%nlotot, lapw%nv(1) + fi%atoms%nlotot, fi%noco%l_noco)
! CALL v_x%init(hmat%l_real, nbasfcn, nbasfcn)
! CALL read_v_x(v_x, fi%kpts%nkpt*(jsp - 1) + nk)
nbasfcn = MERGE(lapw%nv(1) + lapw%nv(2) + 2*fi%atoms%nlotot, lapw%nv(1) + fi%atoms%nlotot, fi%noco%l_noco)
call v_x%init(hybdat%v_x(nk, jsp))
call v_x%copy(hybdat%v_x(nk, jsp),1,1)
......
......@@ -53,8 +53,6 @@ CONTAINS
CALL timestart("hybrid code")
INQUIRE (file="v_x.1", exist=hybdat%l_addhf)
IF (fi%kpts%nkptf == 0) THEN
CALL judft_error("kpoint-set of full BZ not available", &
hint="to generate fi%kpts in the full BZ you should specify a k-mesh in inp.xml")
......
......@@ -157,7 +157,7 @@ CONTAINS
! call judft_error("stopit: add_Vnonl")
call ex_to_vx(fi, nk, jsp, nsymop, psym, hybdat, lapw, z_k, ex, hybdat%v_x(nk, jsp))
CALL write_v_x(hybdat%v_x(nk, jsp), fi%kpts%nkpt*(jsp - 1) + nk)
hybdat%l_addhf = .True.
endif
call hybdat%v_x(nk,jsp)%bcast(0, k_pack%submpi%comm)
CALL timestop("total time hsfock")
......
......@@ -110,28 +110,4 @@ contains
endif
call timestop("read_z")
END subroutine read_z
subroutine read_v_x(mat, rec)
implicit none
TYPE(t_mat), INTENT(INOUT) :: mat
INTEGER, INTENT(IN) :: rec
integer :: id
id = open_matrix(mat%l_real, mat%matsize1, 1, 1, "v_x." // int2str(rec))
CALL read_matrix(mat, 1, id)
call close_matrix(id)
END subroutine read_v_x
subroutine write_v_x(mat, rec)
use m_juDFT
implicit none
TYPE(t_mat), INTENT(IN) :: mat
INTEGER, INTENT(IN) :: rec
integer :: id
id = open_matrix(mat%l_real, mat%matsize1, 1, 1, "v_x." // int2str(rec))
CALL write_matrix(mat, 1, id)
call close_matrix(id)
END subroutine write_v_x
end module m_io_hybinp
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