Commit 814519ec authored by Matthias Redies's avatar Matthias Redies

replace comparisons

parent 05d9a3b1
...@@ -81,7 +81,7 @@ ...@@ -81,7 +81,7 @@
!---> for electric field case (sigma.ne.0), add the extra charge !---> for electric field case (sigma.ne.0), add the extra charge
!---> to the uppermost level; ignore the possible problem that !---> to the uppermost level; ignore the possible problem that
!---> the occupations may not be between 0 and 2 !---> the occupations may not be between 0 and 2
IF (input%jspins.EQ.1) THEN IF (input%jspins==1) THEN
occ(nst,1) = occ(nst,1) + qdel occ(nst,1) = occ(nst,1) + qdel
ELSE ELSE
occ(nst,1) = occ(nst,1) + qdel/2. occ(nst,1) = occ(nst,1) + qdel/2.
...@@ -198,7 +198,7 @@ ...@@ -198,7 +198,7 @@
DO i = 1,n DO i = 1,n
dens(i) = rhoss(i,1) dens(i) = rhoss(i,1)
ENDDO ENDDO
IF (input%jspins.EQ.2) THEN IF (input%jspins==2) THEN
DO i = 1,n DO i = 1,n
dens(i) = dens(i) + rhoss(i,input%jspins) dens(i) = dens(i) + rhoss(i,input%jspins)
ENDDO ENDDO
...@@ -241,7 +241,7 @@ ...@@ -241,7 +241,7 @@
dist = dist + sqrt((3.0e0/r3)*b(n)) dist = dist + sqrt((3.0e0/r3)*b(n))
ENDDO ENDDO
IF (lastit) GO TO 190 IF (lastit) GO TO 190
IF (dist.LT.distol) lastit = .true. IF (dist<distol) lastit = .true.
! mix new input potential ! mix new input potential
p1 = 1.0e0/dist p1 = 1.0e0/dist
p = min(pmax,p1) p = min(pmax,p1)
......
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