Commit 731a420c authored by Matthias Redies's avatar Matthias Redies

merge

parents 09a93efe 67191298
...@@ -4,7 +4,7 @@ MODULE m_cdntot ...@@ -4,7 +4,7 @@ MODULE m_cdntot
! vacuum, and mt regions c.l.fu ! vacuum, and mt regions c.l.fu
! ******************************************************** ! ********************************************************
CONTAINS CONTAINS
SUBROUTINE integrate_lapw_basis(stars,atoms,sym,vacuum,input,cell,oneD, integrand, & SUBROUTINE cdntot_integrate(stars,atoms,sym,vacuum,input,cell,oneD, integrand, &
q, qis, qmt, qvac, qtot, qistot) q, qis, qmt, qvac, qtot, qistot)
USE m_intgr, ONLY : intgr3 USE m_intgr, ONLY : intgr3
USE m_constants USE m_constants
...@@ -73,7 +73,7 @@ CONTAINS ...@@ -73,7 +73,7 @@ CONTAINS
q(jsp) = q(jsp) + qis(jsp) q(jsp) = q(jsp) + qis(jsp)
qtot = qtot + q(jsp) qtot = qtot + q(jsp)
END DO ! loop over spins END DO ! loop over spins
END SUBROUTINE integrate_lapw_basis END SUBROUTINE cdntot_integrate
SUBROUTINE cdntot(stars,atoms,sym,vacuum,input,cell,oneD,& SUBROUTINE cdntot(stars,atoms,sym,vacuum,input,cell,oneD,&
den,l_printData,qtot,qistot) den,l_printData,qtot,qistot)
...@@ -110,7 +110,7 @@ CONTAINS ...@@ -110,7 +110,7 @@ CONTAINS
INTEGER, ALLOCATABLE :: lengths(:,:) INTEGER, ALLOCATABLE :: lengths(:,:)
CHARACTER(LEN=20) :: attributes(6), names(6) CHARACTER(LEN=20) :: attributes(6), names(6)
call integrate_lapw_basis(stars,atoms,sym,vacuum,input,cell,oneD, den, & call cdntot_integrate(stars,atoms,sym,vacuum,input,cell,oneD, den, &
q, qis, qmt, qvac, qtot, qistot) q, qis, qmt, qvac, qtot, qistot)
IF (input%film) THEN IF (input%film) THEN
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment