Commit 8515629c authored by Frank Freimuth's avatar Frank Freimuth

Update wann_optional.f90

parent 22569fd5
......@@ -23,6 +23,7 @@ CONTAINS
USE m_wann_wan90prep
USE m_wann_dipole3
USE m_wann_dipole
USE m_wann_convert_fleur_w90
IMPLICIT NONE
......@@ -97,6 +98,30 @@ CONTAINS
wann%l_stopopt=.TRUE.
ENDIF
!---- convert files from fleur-format to wannier90 format
IF(wann%l_mmn0_unf_to_spn_unf.or. &
wann%l_mmn0_to_spn_unf.or. &
wann%l_mmn0_to_spn.or. &
wann%l_mmn0_to_spn2.or. &
wann%l_mmn0_unf_to_spn.or. &
wann%l_perpmag_unf_to_tor_unf.or. &
wann%l_perpmag_to_tor_unf.or. &
wann%l_perpmag_to_tor.or. &
wann%l_perpmag_unf_to_tor.or. &
wann%l_hsomtxvec_unf_to_lmpzsoc_unf.or. &
wann%l_hsomtxvec_to_lmpzsoc_unf.or. &
wann%l_hsomtxvec_to_lmpzsoc.or. &
wann%l_hsomtxvec_unf_to_lmpzsoc)then
call wann_convert_fleur_w90(input%jspins,l_nocosoc,wann)
wann%l_stopopt=.true.
ENDIF
IF(wann%l_stopopt) CALL juDFT_end("wann_optional done",1) ! The 1 is temporarily. Should be mpi%irank.
END SUBROUTINE wann_optional
......
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