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- BUG FIX. lambda matrix was not read properly upon restart in LSD 

simulations. The effect of this bug was a small kick on the atoms
  after every restart.
- cleanup of stdout


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5888 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
ccavazzoni 2009-09-06 17:22:05 +00:00
parent 51936986e3
commit 135ab01dca
1 changed files with 5 additions and 4 deletions
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9
CPV/cp_restart.f90
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@ -896,7 +896,7 @@ MODULE cp_restart
ekincm, c02, cm2, mat_z )
!------------------------------------------------------------------------
!
USE control_flags, ONLY : gamma_only, force_pairing
USE control_flags, ONLY : gamma_only, force_pairing, iprsta
USE io_files, ONLY : iunpun, xmlpun
USE printout_base, ONLY : title
USE grid_dimensions, ONLY : nr1, nr2, nr3
@ -1625,6 +1625,8 @@ MODULE cp_restart
!
! ... read matrix lambda to file
!
cspin = iotk_index( iss )
!
ALLOCATE( mrepl( nudx, nudx ) )
!
IF( ionode ) THEN
@ -1736,10 +1738,9 @@ MODULE cp_restart
!
END IF
!
if (nprint_nfi.eq.-2) then
write( stdout,*) 'nprint_nfi= ',nprint_nfi
if ( nprint_nfi == -2 ) then
CALL read_print_counter( nprint_nfi, outdir, ndr )
write( stdout,*) 'nprint_nfi= ',nprint_nfi
IF( iprsta > 2 ) write( stdout,*) 'nprint_nfi= ',nprint_nfi
endif
!
RETURN