mirror of https://gitlab.com/QEF/q-e.git
if EXX was active the code restart with density and wave functions from
the previous iteration but reset rho history. seems to work. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6644 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
parent
ad2e192fcb
commit
ab3423d8e1
|
@ -133,6 +133,11 @@ SUBROUTINE electrons()
|
|||
!
|
||||
END IF
|
||||
!
|
||||
IF( exx_is_active() ) THEN
|
||||
iter = 0
|
||||
call save_in_electrons( iter, dr2 )
|
||||
WRITE( stdout, '(5x,"EXX: now go back to refine exchange calculation")')
|
||||
ENDIF
|
||||
END IF
|
||||
!
|
||||
WRITE( stdout, 9000 ) get_clock( 'PWSCF' )
|
||||
|
|
Loading…
Reference in New Issue