Commit 74ca1400 authored by Matthias Redies's avatar Matthias Redies

more timers

parent 2067cdb9
......@@ -94,12 +94,14 @@ CONTAINS
! degenerat(i) =j band i has j-1 degenart states ( i, i+1, ..., i+j)
! degenerat(i) =0 band i is degenerat, but is not the lowest band
! of the group of degenerate states
call timestart("degenerate treatment")
IF (mpi%irank == 0) THEN
WRITE (oUnit, *)
WRITE (oUnit, '(A)') " k-point | number of occupied bands | maximal number of bands"
END IF
degenerat = 1
hybdat%nobd(:,jsp) = 0
hybdat%nobd(:,jsp) = 0
DO nk = 1, kpts%nkpt
DO i = 1, hybdat%ne_eig(nk)
DO j = i + 1, hybdat%ne_eig(nk)
......@@ -144,6 +146,7 @@ CONTAINS
hybdat%nbands(nk) = hybdat%nobd(nk,jsp)
END IF
END DO
call timestop("degenerate treatment")
! spread hybdat%nobd from IBZ to whole BZ
DO nk = 1, kpts%nkptf
......
......@@ -44,6 +44,7 @@ CONTAINS
REAL, ALLOCATABLE :: core1r(:, :, :, :), core2r(:, :, :, :)
REAL, ALLOCATABLE :: eig_cr(:, :, :)
call timestart("corewf")
ncstd = maxval(atoms%econf%num_core_states)
allocate(nindxcr(0:ncstd, atoms%ntype), stat=ok)
......@@ -121,7 +122,7 @@ CONTAINS
IF (maxindxc /= maxval(nindxc))&
call judft_error('corewf: counting error nindxc')
call timestop("corewf")
END SUBROUTINE corewf
SUBROUTINE calcorewf( input, jspin, atoms,&
......@@ -163,6 +164,7 @@ CONTAINS
! - intrinsic functions -
INTRINSIC exp, iabs, isign
call timestart("calcorewf")
c = c_light(1.0)
......@@ -302,6 +304,7 @@ CONTAINS
'weight')
8010 FORMAT(12x, 2f5.0, f6.1, f10.4, f10.0)
call timestop("calcorewf")
END SUBROUTINE calcorewf
SUBROUTINE core_init(input, atoms, lmaxcd, maxindxc)
......
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