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Cleanup

This commit is contained in:
Paolo Giannozzi 2021-01-14 13:18:29 +00:00
parent 5f59ee72be
commit 35f752c9aa
1 changed files with 9 additions and 11 deletions
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20
PHonon/Gamma/cgsolve.f90
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@ -48,15 +48,13 @@ SUBROUTINE cgsolve (operator,npw,evc,npwx,nbnd,overlap, &
CALL calbec ( npw, evc, pu, lagrange )
ELSE
CALL calbec ( npw, evc, u, lagrange )
ENDIF
! JDE putting back the old version because this looks wrong.
ENDIF
!
IF (.not. orthonormal) THEN
CALL DPOTRS('U',nbnd,nbnd,overlap,nbndx,lagrange,nbnd,info)
IF (info/=0) CALL errore('cgsolve','error in potrs',info)
CALL DPOTRS('U',nbnd,nbnd,overlap,nbndx,lagrange,nbnd,info)
IF (info/=0) CALL errore('cgsolve','error in potrs',info)
END IF
! JDE putting back the old version because this looks wrong.
!
!
CALL dgemm ('N', 'N', 2*npw, nbnd, nbnd, -1.d0, evc, &
2*npwx, lagrange, nbndx, 1.d0, u, 2*npwx)
!
@ -110,11 +108,11 @@ SUBROUTINE cgsolve (operator,npw,evc,npwx,nbnd,overlap, &
ELSE
CALL calbec ( npw, evc, u, lagrange )
ENDIF
! JDE putting back the old version because this looks wrong.
!
IF (.not. orthonormal) THEN
CALL DPOTRS('U',nbnd,nbnd,overlap,nbndx,lagrange,nbnd,info)
IF (info/=0) CALL errore('cgsolve','error in potrs',info)
! JDE putting back the old version because this looks wrong.
CALL DPOTRS('U',nbnd,nbnd,overlap,nbndx,lagrange,nbnd,info)
IF (info/=0) CALL errore('cgsolve','error in potrs',info)
!
END IF
CALL dgemm ('N', 'N', 2*npw, nbnd, nbnd,-1.d0, evc, &
2*npwx, lagrange, nbndx, 1.d0, u, 2*npwx)