Commit 05d08055 authored by Gregor Michalicek's avatar Gregor Michalicek

Bug symptom fix for issue #276.

Note: The cause for the problem is still not identified.
parent 98ec775a
......@@ -59,8 +59,9 @@ CONTAINS
! ..
! .. Local Arrays ..
!
INTEGER, ALLOCATABLE :: idxeig(:),idxjsp(:),idxkpt(:),INDEX(:)
REAL, ALLOCATABLE :: e(:),eig(:,:,:),we(:)
INTEGER :: idxeig(SIZE(results%w_iks)),idxjsp(SIZE(results%w_iks)),idxkpt(SIZE(results%w_iks)),INDEX(SIZE(results%w_iks))
REAL :: e(SIZE(results%w_iks)),we(SIZE(results%w_iks))
REAL, ALLOCATABLE :: eig(:,:,:)
INTEGER ne(kpts%nkpt,SIZE(results%w_iks,3))
CHARACTER(LEN=20) :: attributes(5)
......@@ -92,15 +93,12 @@ CONTAINS
!***********************************************************************
! .. Data statements ..
DATA del/1.0e-6/
! ..
n=SIZE(results%w_iks) !size of list of all eigenvalues
ALLOCATE (idxeig(n),idxjsp(n),idxkpt(n),INDEX(n),e(n),we(n) )
ALLOCATE (eig(SIZE(results%w_iks,1),SIZE(results%w_iks,2),SIZE(results%w_iks,3)))
! initiliaze e
e = 0
IF ( mpi%irank == 0 ) WRITE (6,FMT=8000)
8000 FORMAT (/,/,1x,'fermi energy and band-weighting factors:')
!
......@@ -251,7 +249,7 @@ CONTAINS
ENDIF
efermi = results%ef
enddo
DEALLOCATE ( idxeig,idxjsp,idxkpt,index,e,eig,we )
DEALLOCATE (eig)
attributes = ''
WRITE(attributes(1),'(f20.10)') results%ef
......
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