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fleur
fleur
Commit 5b9e1250 authored by Daniel Wortmann's avatar Daniel Wortmann
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Merge branch 'develop' of fleur-git:fleur into develop

parents b57dbf6a d28b8734
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Showing with 3 additions and 2 deletions
inpgen/spg_gen.f
View file @ 5b9e1250
...@@ -49,12 +49,13 @@ ...@@ -49,12 +49,13 @@
INTEGER ios,istep0, binSize, maxBinSize INTEGER ios,istep0, binSize, maxBinSize
INTEGER locBinDim(3), secondAtom(natin) INTEGER locBinDim(3), secondAtom(natin)
INTEGER binDim(3), iBin(3) INTEGER binDim(3), iBin(3)
INTEGER trIndices(natin)
CHARACTER(len=30) :: filen CHARACTER(len=30) :: filen
REAL posr(3,natin),rtau(3),tr(3),disp(3,natin) REAL posr(3,natin),rtau(3),tr(3),disp(3,natin)
REAL ttau(3,nop48),trs(3,natin) REAL ttau(3,nop48),trs(3,natin)
REAL eps7 REAL eps7
REAL trVecs(3,natin), trIndices(natin) REAL trVecs(3,natin)
LOGICAL lnew,lclose, foundOne, boundary(3) LOGICAL lnew,lclose, foundOne, boundary(3)
LOGICAL l_exist LOGICAL l_exist
......
xc-pot/exchpbe.F
View file @ 5b9e1250
...@@ -60,7 +60,7 @@ c---------------------------------------------------------------------- ...@@ -60,7 +60,7 @@ c----------------------------------------------------------------------
+ .OR. icorr.EQ.icorr_hseloc .OR. icorr.EQ.icorr_vhse ) THEN + .OR. icorr.EQ.icorr_hseloc .OR. icorr.EQ.icorr_vhse ) THEN
uk=0.8040 uk=0.8040
ELSE ELSE
WRITE(6,'(//'' icorr error. icorr='',i5)'),icorr WRITE(6,'(//'' icorr error. icorr='',i5)') icorr
CALL judft_error("icorr is not correctly transferred", CALL judft_error("icorr is not correctly transferred",
+ calledby="exchpbe.F") + calledby="exchpbe.F")
ENDIF ENDIF
......
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