Commit 5a53fc1a authored by giannozz's avatar giannozz

There is a problem with k-point parallelization and hybrid functionals in the

US case. Not a priority, given the curret  poor performances of hybrid with 
USPP: for the time being, I added a check to disable this case


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12190 c92efa57-630b-4861-b058-cf58834340f0
parent 4c0c960f
......@@ -124,8 +124,6 @@ MODULE exx
USE gvecw, ONLY : ecutwfc
USE wvfct, ONLY : npw
USE gvect, ONLY : ecutrho, ig_l2g
USE uspp, ONLY : okvan
USE paw_variables,ONLY : okpaw
USE control_flags,ONLY : gamma_only
USE klist, ONLY : qnorm
USE cell_base, ONLY : at, bg, tpiba2
......
......@@ -72,7 +72,7 @@ SUBROUTINE setup()
USE bp, ONLY : gdir, lberry, nppstr, lelfield, lorbm, nx_el, nppstr_3d,l3dstring, efield, lcalc_z2
USE fixed_occ, ONLY : f_inp, tfixed_occ, one_atom_occupations
USE funct, ONLY : set_dft_from_name
USE mp_pools, ONLY : kunit
USE mp_pools, ONLY : kunit, npool
USE spin_orb, ONLY : lspinorb, domag
USE noncollin_module, ONLY : noncolin, npol, m_loc, i_cons, &
angle1, angle2, bfield, ux, nspin_lsda, &
......@@ -119,6 +119,8 @@ SUBROUTINE setup()
IF (okvan) THEN
IF (ecutfock /= 4*ecutwfc) CALL infomsg &
('setup','Warning: US/PAW use ecutfock=4*ecutwfc, ecutfock ignored')
IF (npool > 1) CALL errore &
('setup','hybrid functionals + US/PAW + pools = not working',1)
IF ( noncolin ) CALL errore &
('setup','Noncolinear hybrid XC for USPP not implemented',1)
END IF
......
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