mirror of https://gitlab.com/QEF/q-e.git
- cleanup of some debugging logs
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4829 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
parent
0c5e11b12d
commit
99b5973833
|
@ -501,11 +501,19 @@ SUBROUTINE projwave( filproj, lsym )
|
|||
END DO
|
||||
END DO
|
||||
ELSE
|
||||
DO nwfc=1,natomwfc
|
||||
DO ibnd=1,nbnd
|
||||
proj(nwfc,ibnd,ik)=ABS(proj0(nwfc,ibnd))**2
|
||||
IF ( gamma_only ) THEN
|
||||
DO nwfc=1,natomwfc
|
||||
DO ibnd=1,nbnd
|
||||
proj(nwfc,ibnd,ik)=ABS(rproj0(nwfc,ibnd))**2
|
||||
END DO
|
||||
END DO
|
||||
END DO
|
||||
ELSE
|
||||
DO nwfc=1,natomwfc
|
||||
DO ibnd=1,nbnd
|
||||
proj(nwfc,ibnd,ik)=ABS(proj0(nwfc,ibnd))**2
|
||||
END DO
|
||||
END DO
|
||||
END IF
|
||||
END IF
|
||||
IF ( gamma_only ) THEN
|
||||
DEALLOCATE (rwork1)
|
||||
|
@ -1989,11 +1997,16 @@ SUBROUTINE pprojwave( filproj, lsym )
|
|||
IF (nwfc /= natomwfc) CALL errore ('projwave', 'wrong # of atomic wfcs?', 1)
|
||||
!
|
||||
!
|
||||
WRITE( *, * ) mpime, ': natomwfc = ', natomwfc
|
||||
WRITE( *, * ) mpime, ': nbnd = ', nbnd
|
||||
WRITE( *, * ) mpime, ': nkstot = ', nkstot
|
||||
WRITE( *, * ) mpime, ': npwx = ', npwx
|
||||
WRITE( *, * ) mpime, ': nkb = ', nkb
|
||||
IF( ionode ) THEN
|
||||
WRITE( stdout, * )
|
||||
WRITE( stdout, * ) ' Problem Sizes '
|
||||
WRITE( stdout, * ) ' natomwfc = ', natomwfc
|
||||
WRITE( stdout, * ) ' nbnd = ', nbnd
|
||||
WRITE( stdout, * ) ' nkstot = ', nkstot
|
||||
WRITE( stdout, * ) ' npwx = ', npwx
|
||||
WRITE( stdout, * ) ' nkb = ', nkb
|
||||
WRITE( stdout, * )
|
||||
END IF
|
||||
!
|
||||
ALLOCATE( proj (natomwfc, nbnd, nkstot) )
|
||||
proj = 0.d0
|
||||
|
|
Loading…
Reference in New Issue