scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Fix typos

This commit is contained in:
Iurii Timrov 2020-10-29 10:03:34 +01:00
parent 19227da7e4
commit fa95d03ab2
2 changed files with 6 additions and 6 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
HP/Doc/INPUT_HP.def
View File

@ -86,7 +86,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program hp.x
If .true. determines the number of perturbations
(i.e. which atoms will be perturbed) and exits smoothly
without performing any calculation. For DFT+U+V, it also
determines the indices of inter-cite couples.
determines the indices of inter-site couples.
}
}

10
HP/src/hp_postproc.f90
View File

@ -97,7 +97,7 @@ SUBROUTINE hp_postproc
CALL atomic_dist()
!
IF (determine_indices_only) THEN
CALL write_intercite(.false.)
CALL write_intersite(.false.)
GO TO 15
ENDIF
!
@ -728,7 +728,7 @@ SUBROUTINE calculate_Hubbard_parameters()
!
! Write Hubbard V (i.e. off-diagonal elements of the Hubbard matrix)
!
IF ( lda_plus_u_kind.EQ.2 ) CALL write_intercite(.true.)
IF ( lda_plus_u_kind.EQ.2 ) CALL write_intersite(.true.)
!
! Write the information about the response matrices chi0 and chi,
! about their inverse matrices, and about the entire matrix of
@ -790,7 +790,7 @@ SUBROUTINE calculate_Hubbard_parameters()
!
END SUBROUTINE calculate_Hubbard_parameters
SUBROUTINE write_intercite (lflag)
SUBROUTINE write_intersite (lflag)
!
USE parameters, ONLY : sc_size
!
@ -814,7 +814,7 @@ SUBROUTINE write_intercite (lflag)
IF (lflag) THEN
WRITE(iunitU,'(/27x,"Hubbard V parameters:")')
ELSE
WRITE(iunitU,'(/17x,"Indices and distances for inter-cite couples:")')
WRITE(iunitU,'(/17x,"Indices and distances for inter-site couples:")')
ENDIF
WRITE(iunitU,'(22x,"(adapted for a supercell",1x,i1,"x",i1,"x",i1,")",/)') &
2*sc_size+1, 2*sc_size+1, 2*sc_size+1
@ -965,6 +965,6 @@ SUBROUTINE write_intercite (lflag)
!
RETURN
!
END SUBROUTINE write_intercite
END SUBROUTINE write_intersite
END SUBROUTINE hp_postproc