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Fixed broken iexch assignment for HF and OEP special names in set_dft_from_name. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7890 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
sbinnie 2011-06-22 13:53:58 +00:00
parent 59c8ac8b8a
commit d1cab52c1e
1 changed files with 2 additions and 2 deletions
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4
Modules/funct.f90
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@ -439,7 +439,7 @@ CONTAINS
! special cases : OEP no GC part (nor LDA...) and no correlation by default
else IF ('OEP' .EQ. TRIM(dftout) ) THEN
call set_dft_value (iexch,1) !Default
call set_dft_value (iexch,4)
call set_dft_value (icorr, 0)
CALL set_dft_value( igcx, 0 )
call set_dft_value (igcc, 0) !Default
@ -448,7 +448,7 @@ CONTAINS
! special cases : HF no GC part (nor LDA...) and no correlation by default
else IF ('HF' .EQ. TRIM(dftout) ) THEN
call set_dft_value (iexch,1) !Default
call set_dft_value (iexch,5)
call set_dft_value (icorr, 0)
CALL set_dft_value( igcx, 0 )
call set_dft_value (igcc, 0) !Default