Commit cf52541f authored by Daniel Wortmann's avatar Daniel Wortmann

Merge branch 'develop' of fleur-git:fleur into develop

parents c6f8513c cc328f67
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_cdnovlp
USE m_juDFT
CONTAINS
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_eparas
!***********************************************************************
! Calculates qlo, enerlo and sqlo, which are needed to determine the
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_m_perp
CONTAINS
SUBROUTINE m_perp(atoms,itype,noco,vr0, chmom,qa21,alphdiff)
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_nmat
! ************************************************************
! This subroutine calculates the density matrix n^{s}_{m,m'}
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_od_abvac
CONTAINS
SUBROUTINE od_abvac(&
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_od_chirot
CONTAINS
SUBROUTINE od_chirot(
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_prpqfftmap
use m_juDFT
CONTAINS
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_pwden
CONTAINS
SUBROUTINE pwden(stars,kpts,banddos,oneD, input,mpi,noco,cell,atoms,sym, &
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_qpwtonmt
!***************************************************************
! This subroutine calculates the lattice harmonic expansions
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_rotdenmat
use m_juDFT
CONTAINS
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_abccoflo
USE m_juDFT
!*********************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_abclocdn
USE m_juDFT
!*********************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_abclocdn1
!*********************************************************************
! Calculates the basis coeffcients (bascof_lo) for the local
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_abclocdnpulay
USE m_juDFT
CONTAINS
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_abcrot2
PRIVATE
PUBLIC :: abcrot2
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_cdnmt
!***********************************************************************
! This subroutine calculates the spherical and non-spherical charge-
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_rhomtlo
!
!***********************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_rhonmt21
! *************************************************************
! subroutine sets up the coefficients of the spin (up,down)
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_rhonmtlo
!
!***********************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_rhosphnlo
!***********************************************************************
! Add the local orbital contributions to the charge density. The
......
......@@ -49,7 +49,7 @@ init/tetcon.f init/kvecon.f
set(inpgen_F90 io/xsf_io.f90
global/types.F90 global/enpara.f90 global/chkmt.f90 inpgen/inpgen.f90 inpgen/set_inp.f90 io/rw_inp.f90 juDFT/juDFT.F90
juDFT/stop.F90 juDFT/time.F90 juDFT/init.F90 io/w_inpXML.f90 init/julia.f90 io/xmlOutput.F90)
juDFT/stop.F90 juDFT/time.F90 juDFT/init.F90 io/w_inpXML.f90 init/julia.f90 global/utility.F90 io/xmlOutput.F90)
set(fleur_SRC ${fleur_F90} ${fleur_F77})
......
......@@ -33,7 +33,7 @@ endif ()
#The Fortran compile flags
set(CMAKE_Fortran_FLAGS "${MPI_Fortran_COMPILE_FLAGS} ${HDF5_INCL} -ffree-line-length-none -fdefault-real-8 " )
set(CMAKE_Fortran_FLAGS_RELEASE " -O4 -fopenmp" )
set(CMAKE_Fortran_FLAGS_DEBUG " -C -O0 -g" )
set(CMAKE_Fortran_FLAGS_DEBUG " -O0 -g" )
set(LAPACK_LIBS "-lxml2 -lblas -llapack")
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_etabinit
USE m_juDFT
! *******************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_chani
CONTAINS
SUBROUTINE chani(M,N,Neigd, Myid,Np,Sub_comm,mpi_comm, &
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_eigen_diag
USE m_juDFT
! the parameters are set to negative values to indicate that a particular solver is not compiled
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_elemental
PRIVATE
!Module to call the elemental library for parallel diagonalization
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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.
!--------------------------------------------------------------------------------
#ifdef CPP_INVERSION
#define CPP_CHOLESKY cholesky_real
#define CPP_invert_trm invert_trm_real
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_franza
CONTAINS
SUBROUTINE franza(nbasfcn,neigd, nsize,&
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_geneigprobl
use m_juDFT
!**********************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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.
!--------------------------------------------------------------------------------
!*************************************************************
! Find linear combinations of local orbitals that are
! eigenfunctions of the z-reflection operation.
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_magma
use m_juDFT
INTEGER,PARAMETER :: NGPU_CONST=1
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_loccoeff
! coefficients used in locrectify:
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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.
!--------------------------------------------------------------------------------
!DEC$ FREEFORM
SUBROUTINE subredist1(achi,n,asca,lda,SUB_COMM,nprow,npcol,iam,ierr,nb)
use m_juDFT
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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.
!--------------------------------------------------------------------------------
!DEC$ FREEFORM
subroutine subredist2(achi,n,m,asca,lda,SUB_COMM,nprow,npcol,&
iam,ierr,nb)
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_zsymsecloc
use m_juDFT
!*******************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_cdninf
CONTAINS
SUBROUTINE cdninf(&
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_doswrite
USE m_juDFT
!
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_grp_k
USE m_juDFT
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_sympsi
! Calculates the irreducible represetantions of the wave functions.
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_tetrados
c----------------------------------------------------------------------
c
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_eigen
use m_juDFT
CONTAINS
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_hlomat
!***********************************************************************
! updates the hamiltonian matrix with the contributions from the local
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_hsint
CONTAINS
SUBROUTINE hsint(noco,jij,stars, vpw,lapw,jspin,&
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_hsmt_extra
USE m_juDFT
IMPLICIT NONE
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_hsmt_socinit
USE m_juDFT
IMPLICIT NONE
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_hsmt_sph
use m_juDFT
implicit none
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_hsmt_spinor
#include "juDFT_env.h"
IMPLICIT NONE
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_lodpot
CONTAINS
SUBROUTINE lodpot(mpi,atoms,sphhar,obsolete,vacuum,&
......@@ -143,12 +149,12 @@ CONTAINS
WRITE(attributes(1),'(i0)') n
WRITE(attributes(2),'(i0)') jsp
WRITE(attributes(3),'(i0,a1)') nqn(l), ch(l)
WRITE(attributes(4),'(f16.10)') e_lo
WRITE(attributes(5),'(f16.10)') e_up
WRITE(attributes(4),'(f8.2)') e_lo
WRITE(attributes(5),'(f8.2)') e_up
WRITE(attributes(6),'(f16.10)') e
CALL writeXMLElementForm('atomicEP',(/'atomType ','spin ','branch ',&
'branchLowest ','branchHeighest','value '/),&
attributes,reshape((/12,4,6,12,14,5,6,1,3,16,16,16/),(/6,2/)))
CALL writeXMLElementForm('atomicEP',(/'atomType ','spin ','branch ',&
'branchLowest ','branchHighest','value '/),&
attributes,reshape((/12,4,6,12,13,5,6,1,3,8,8,16/),(/6,2/)))
WRITE(6,'(a6,i3,i2,a1,a12,f6.2,a3,f6.2,a13,f8.4)') ' Atom',n,nqn(l),ch(l),' branch from',&
e_lo, ' to',e_up,' htr. ; e_l =',e
ENDIF
......@@ -249,7 +255,7 @@ CONTAINS
WRITE(attributes(5),'(f16.10)') e
CALL writeXMLElementForm('heAtomicEP',(/'atomType ','spin ','branch ',&
'logDerivMT ','value '/),&
attributes(1:5),reshape((/10,4,6,12,5+34,6,1,3,16,16/),(/5,2/)))
attributes(1:5),reshape((/10,4,6,12,5+17,6,1,3,16,16/),(/5,2/)))
WRITE (6,'(a7,i3,i2,a1,a12,f7.2,a4,f7.2,a5)') " Atom ",n,nqn(l),ch(l)," branch, D = ",&
ldmt, " at ",e," htr."
ENDIF
......@@ -319,12 +325,12 @@ CONTAINS
WRITE(attributes(1),'(i0)') n
WRITE(attributes(2),'(i0)') jsp
WRITE(attributes(3),'(i0,a1)') nqn_lo(ilo), ch(l)
WRITE(attributes(4),'(f16.10)') e_lo
WRITE(attributes(5),'(f16.10)') e_up
WRITE(attributes(4),'(f8.2)') e_lo
WRITE(attributes(5),'(f8.2)') e_up
WRITE(attributes(6),'(f16.10)') e
CALL writeXMLElementForm('loAtomicEP',(/'atomType ','spin ','branch ',&
'branchLowest ','branchHeighest','value '/),&
attributes,reshape((/10,4,6,12,14,5,6,1,3,16,16,16/),(/6,2/)))
CALL writeXMLElementForm('loAtomicEP',(/'atomType ','spin ','branch ',&
'branchLowest ','branchHighest','value '/),&
attributes,reshape((/10,4,6,12,13,5,6,1,3,8,8,16/),(/6,2/)))
WRITE(6,'(a6,i3,i2,a1,a12,f6.2,a3,f6.2,a13,f8.4)') ' Atom',n,nqn_lo(ilo),ch(l),' branch from',&
e_lo,' to',e_up,' htr. ; e_l =',e
ENDIF
......@@ -420,7 +426,7 @@ CONTAINS
WRITE(attributes(5),'(f16.10)') e
CALL writeXMLElementForm('heloAtomicEP',(/'atomType ','spin ','branch ',&
'logDerivMT ','value '/),&
attributes(1:5),reshape((/8,4,6,12,5+34,6,1,3,16,16/),(/5,2/)))
attributes(1:5),reshape((/8,4,6,12,5+17,6,1,3,16,16/),(/5,2/)))
WRITE (6,'(a6,i3,i2,a1,a12,f6.2,a4,f6.2,a5)') ' Atom',n,ABS(nqn_lo(ilo)),ch(l),&
' branch, D = ',ldmt,' at ',e,' htr.'
ENDIF
......@@ -502,6 +508,9 @@ CONTAINS
ENDIF
ENDIF
evac(ivac,jsp) = enpara%evac0(ivac,jsp) + vz0
IF (input%l_inpXML) THEN
evac(ivac,jsp) = vz(vacuum%nmz,ivac,jsp) + enpara%evac0(ivac,jsp)
END IF
attributes = ''
WRITE(attributes(1),'(i0)') ivac
WRITE(attributes(2),'(i0)') jsp
......@@ -509,7 +518,7 @@ CONTAINS
WRITE(attributes(4),'(f16.10)') vz(vacuum%nmz,ivac,jsp)
WRITE(attributes(5),'(f16.10)') evac(ivac,jsp)
CALL writeXMLElementForm('vacuumEP',(/'vacuum','spin ','vzIR ','vzInf ','value '/),&
attributes(1:5),reshape((/6+4,4,4,5,5+30,8,1,16,16,16/),(/5,2/)))
attributes(1:5),reshape((/6+4,4,4,5,5+13,8,1,16,16,16/),(/5,2/)))
ENDDO
IF (vacuum%nvac.EQ.1) THEN
evac(2,jsp) = evac(1,jsp)
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_od_hsvac
use m_juDFT
CONTAINS
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_od_vacfun
CONTAINS
SUBROUTINE od_vacfun(&
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_orthoglo
use m_juDFT
!*********************************************************************
......
!--------------------------------------------------------------------------------
! Copyright (c) 2016 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_radovlp