Commit 74cf9be8 authored by Gregor Michalicek's avatar Gregor Michalicek

Add dummy routine for writing out basis set data for GW

parent cc58bb6e
...@@ -25,6 +25,7 @@ io/broyd_io.F90 ...@@ -25,6 +25,7 @@ io/broyd_io.F90
io/rw_inp.f90 io/rw_inp.f90
io/rw_noco.f90 io/rw_noco.f90
io/r_inpXML.F90 io/r_inpXML.F90
io/writeBasis.F90
io/writeOutHeader.F90 io/writeOutHeader.F90
io/wrtdop.f90 io/wrtdop.f90
io/w_inpXML.f90 io/w_inpXML.f90
...@@ -33,3 +34,4 @@ io/xsf_io.f90 ...@@ -33,3 +34,4 @@ io/xsf_io.f90
io/xmlIntWrapFort.f90 io/xmlIntWrapFort.f90
io/xmlOutput.F90 io/xmlOutput.F90
) )
!--------------------------------------------------------------------------------
! Copyright (c) 2018 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE m_writeBasis
CONTAINS
SUBROUTINE writeBasis()
USE m_types
USE m_juDFT
IMPLICIT NONE
#ifdef CPP_HDF
#else
CALL juDFT_error("writeBasis called without HDF5! ",calledby="writeBasis")
#endif
END SUBROUTINE writeBasis
END MODULE m_writeBasis
...@@ -69,6 +69,7 @@ CONTAINS ...@@ -69,6 +69,7 @@ CONTAINS
#endif #endif
USE m_eig66_io USE m_eig66_io
USE m_chase_diag USE m_chase_diag
USE m_writeBasis
IMPLICIT NONE IMPLICIT NONE
INTEGER, INTENT(IN) :: mpi_comm INTEGER, INTENT(IN) :: mpi_comm
...@@ -398,7 +399,11 @@ CONTAINS ...@@ -398,7 +399,11 @@ CONTAINS
END DO forcetheoloop END DO forcetheoloop
CALL forcetheo%postprocess() CALL forcetheo%postprocess()
IF ((input%gw.GT.0).AND.(mpi%irank.EQ.0)) THEN
CALL writeBasis()
END IF
CALL enpara%mix(mpi,atoms,vacuum,input,vTot%mt(:,0,:,:),vtot%vacz) CALL enpara%mix(mpi,atoms,vacuum,input,vTot%mt(:,0,:,:),vtot%vacz)
field2 = field field2 = field
......
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