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quantum-espresso
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CP can now read files produced by PW also for spin-polarized cases. 

Works only if PW uses Gamma, wf_collect, occupations from input.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6846 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2010-06-18 08:33:16 +00:00
parent a2e0216f81
commit 8f7bf30f3d
1 changed files with 2 additions and 2 deletions
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4
CPV/cp_restart.f90
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@ -1509,7 +1509,7 @@ MODULE cp_restart
IF( nspin == 1 ) THEN
CALL iotk_scan_begin( iunpun, "DATAFILE", FOUND = found )
ELSE
CALL iotk_scan_begin( iunpun, "DATAFILE//TRIM(cspin)", FOUND = found )
CALL iotk_scan_begin( iunpun, "DATAFILE"//TRIM(cspin), FOUND = found )
END IF
!
CALL iotk_scan_dat ( iunpun, "OCCUPATIONS", occ_( 1:nbnd_tot ) )
@ -1517,7 +1517,7 @@ MODULE cp_restart
IF( nspin == 1 ) THEN
CALL iotk_scan_end( iunpun, "DATAFILE" )
ELSE
CALL iotk_scan_end( iunpun, "DATAFILE//TRIM(cspin)" )
CALL iotk_scan_end( iunpun, "DATAFILE"//TRIM(cspin) )
END IF
!
IF( found ) THEN