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fleur
fleur
Commits
07d3e63d
Commit
07d3e63d
authored
Dec 09, 2019
by
Matthias Redies
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Merge branch 'develop' into hybrid_purge
parents
94afdd66
2e970bfd
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main/fleur.F90
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07d3e63d
...
@@ -264,8 +264,8 @@ CONTAINS
...
@@ -264,8 +264,8 @@ CONTAINS
!---< gwf
!---< gwf
!START Rot For Testing (HIGHLY EXPERIMENTAL ROUTINE)
!START Rot For Testing (HIGHLY EXPERIMENTAL ROUTINE)
IF
(
.FALSE.
)
CALL
rotateMagnetToSpinAxis
(
vacuum
,
sphhar
,
stars
&
!
IF(.FALSE.)CALL rotateMagnetToSpinAxis(vacuum,sphhar,stars&
,
sym
,
oneD
,
cell
,
noco
,
input
,
atoms
,
inDen
)
!
,sym,oneD,cell,noco,input,atoms,inDen)
!END Rot For Testing (HIGHLY EXPERIMENTAL ROUTINE)
!END Rot For Testing (HIGHLY EXPERIMENTAL ROUTINE)
CALL
timestart
(
"generation of potential"
)
CALL
timestart
(
"generation of potential"
)
CALL
vgen
(
hybrid
,
field
,
input
,
xcpot
,
DIMENSION
,
atoms
,
sphhar
,
stars
,
vacuum
,
sym
,&
CALL
vgen
(
hybrid
,
field
,
input
,
xcpot
,
DIMENSION
,
atoms
,
sphhar
,
stars
,
vacuum
,
sym
,&
...
@@ -441,6 +441,9 @@ CONTAINS
...
@@ -441,6 +441,9 @@ CONTAINS
ENDIF
ENDIF
#endif
#endif
CALL
timestop
(
"generation of new charge density (total)"
)
CALL
timestop
(
"generation of new charge density (total)"
)
!START Rot For Testing (HIGHLY EXPERIMENTAL ROUTINE)
!IF (.FALSE.) CALL rotateMagnetFromSpinAxis(noco,vacuum,sphhar,stars,sym,oneD,cell,input,atoms,outDen,inDen)
!END Rot For Testing (HIGHLY EXPERIMENTAL ROUTINE)
!!$ !----> output potential and potential difference
!!$ !----> output potential and potential difference
!!$ IF (obsolete%disp) THEN
!!$ IF (obsolete%disp) THEN
!!$ reap = .FALSE.
!!$ reap = .FALSE.
...
...
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