Commit 885400ce authored by Matthias Redies's avatar Matthias Redies

remove intent(out) from read_core

parent ab7e4193
......@@ -2,7 +2,7 @@
! read core radial wavefunctions from corebas
! corebas is written in cored.F
! (core basis functions can be read in once during an iteration)
! (core basis functions can be read in once during an iteration)
CONTAINS
......@@ -164,7 +164,7 @@
TYPE(t_atoms),INTENT(IN) :: atoms
! - scalars -
INTEGER,INTENT(IN) :: jsp
INTEGER,INTENT(IN) :: jsp
INTEGER,INTENT(IN) :: lmaxcd
INTEGER,INTENT(INOUT) :: maxindxc
......@@ -206,7 +206,7 @@
! average over core states that only differ in j
! core functions with l-qn equal 0 doesnot change during the average process
nindxc(0,:) = nindxcr(0,:)
DO itype=1,atoms%ntype
core1(:,:nindxc(0,itype),0,itype)&
......@@ -296,19 +296,19 @@
! - scalars -
INTEGER, INTENT (IN) :: ncstd
INTEGER, INTENT (IN) :: jspin
INTEGER, INTENT (IN) :: jspin
INTEGER, INTENT (OUT):: lmaxc(:)
! - arrays -
INTEGER, INTENT (OUT):: nindxcr(0:ncstd,atoms%ntype)
REAL , INTENT (IN) :: vr(:,:,:)!(atoms%jmtd,atoms%ntypd,input%jspins)
REAL , ALLOCATABLE :: core1(:,:,:,:),core2(:,:,:,:)
REAL , ALLOCATABLE :: eig_c(:,:,:)
! - arrays -
INTEGER, INTENT (INOUT) :: nindxcr(0:ncstd,atoms%ntype)
REAL , INTENT (IN) :: vr(:,:,:)!(atoms%jmtd,atoms%ntypd,input%jspins)
REAL , ALLOCATABLE :: core1(:,:,:,:),core2(:,:,:,:)
REAL , ALLOCATABLE :: eig_c(:,:,:)
! - local scalars -
INTEGER :: i,j,itype,korb,ncmsh,nst,ierr
REAL :: e,fj,fl,fn,t2,c,bmu,weight
REAL :: d,dxx,rn,rnot,z,t1,rr
REAL :: d,dxx,rn,rnot,z,t1,rr
LOGICAL, SAVE :: first = .true.
! - local arrays -
......@@ -348,11 +348,11 @@
! & nst,kappa,nprnc,occ_h)
call atoms%econf(itype)%get_core(nst,kappa,nprnc,occ_h)
IF ((bmu > 99.)) THEN
occ(1:nst) = input%jspins * occ_h(1:nst,jspin)
ELSE
occ(1:nst) = occ_h(1:nst,1)
occ(1:nst) = occ_h(1:nst,1)
END IF
rnot = atoms%rmsh(1,itype)
d = exp(atoms%dx(itype))
......@@ -395,7 +395,7 @@
IF ((bmu > 99.)) THEN
occ(1:nst) = input%jspins * occ_h(1:nst,jspin)
ELSE
occ(1:nst) = occ_h(1:nst,1)
occ(1:nst) = occ_h(1:nst,1)
END IF
rnot = atoms%rmsh(1,itype)
d = exp(atoms%dx(itype))
......@@ -486,15 +486,15 @@
TYPE(t_atoms),INTENT(IN) :: atoms
INTEGER,INTENT(OUT) :: maxindxc,lmaxcd
! - local scalars -
INTEGER :: i,j,itype,korb,ncmsh,nst,ierr
REAL :: e,fj,fl,fn,t,bmu,c
REAL :: d,dxx,rn,rnot,z,t1,rr
REAL :: d,dxx,rn,rnot,z,t1,rr
! - local arrays -
INTEGER :: kappa(29),nprnc(29)
INTEGER :: nindxcr(0:29,atoms%ntype)
INTEGER :: nindxcr(0:29,atoms%ntype)
REAL :: occ(29),occ_h(29,2),a(atoms%msh),b(atoms%msh)
INTEGER :: lmaxc(atoms%ntype)
......@@ -515,7 +515,7 @@
!CALL setcor(itype,input%jspins,atoms,input,bmu, nst,kappa,nprnc,occ_h)
call atoms%econf(itype)%get_core(nst,nprnc,kappa,occ_h)
occ(1:nst) = occ_h(1:nst,1)
occ(1:nst) = occ_h(1:nst,1)
rnot = atoms%rmsh(1,itype)
d = exp(atoms%dx(itype))
......
Markdown is supported
0%
or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment