mirror of https://gitlab.com/QEF/q-e.git
Small changes. Do not search symmetry with a single mode calculation, and print
A symmetry for C1 group. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9315 c92efa57-630b-4861-b058-cf58834340f0
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@ -319,6 +319,8 @@ SUBROUTINE phq_readin()
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END SELECT
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epsil = epsil .OR. lraman .OR. elop
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IF (modenum /= 0) search_sym=.FALSE.
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if(elph_mat) then
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trans=.false.
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@ -325,7 +325,7 @@ subroutine phq_setup
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! by set_nscf, at gamma it coincides with the point group and we
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! take nsymq=nsym
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!
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IF (lgamma) THEN
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IF (lgamma.AND.modenum==0) THEN
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nsymq=nsym
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minus_q=.TRUE.
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ENDIF
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@ -15,6 +15,8 @@ subroutine set_irr_nosym_new (u, npert, nirr)
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!
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USE kinds, only : DP
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USE ions_base, ONLY : nat
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USE modes, ONLY : num_rap_mode, name_rap_mode
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USE control_ph, ONLY : search_sym
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IMPLICIT NONE
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!
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INTEGER, INTENT(OUT) :: npert (3 * nat), nirr
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@ -34,6 +36,12 @@ subroutine set_irr_nosym_new (u, npert, nirr)
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do imode = 1, 3 * nat
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u (imode, imode) = (1.d0, 0.d0)
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enddo
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IF (search_sym) THEN
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DO imode = 1, 3 * nat
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num_rap_mode(imode)=1
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name_rap_mode(imode)='A'
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END DO
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ENDIF
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return
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end subroutine set_irr_nosym_new
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