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The last LDA+U bug fix was not doing what it was supposed to do 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7651 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2011-04-01 10:23:19 +00:00
parent 74d13b2815
commit b7a3376e1a
1 changed files with 4 additions and 2 deletions
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6
PW/electrons.f90
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@ -289,8 +289,10 @@ SUBROUTINE electrons()
!
IF ( iverbosity > 0 .OR. first ) CALL write_ns()
!
IF ( first .AND. istep == 0 .AND. &
starting_pot == 'atomic' ) CALL ns_adj() ; rhoin%ns = rho%ns
IF ( first .AND. istep == 0 .AND. starting_pot == 'atomic' ) THEN
CALL ns_adj()
rhoin%ns = rho%ns
END IF
IF ( iter <= niter_with_fixed_ns ) THEN
WRITE( stdout, '(/,5X,"RESET ns to initial values (iter <= mixing_fixed_ns)",/)')
rho%ns = rhoin%ns