master_fixes.txt

Fixes done on upstream QE to make it run

# compute_mmn
* Bug introduced in commit 6bde39407
mmn should be symmetric in the gamma_only case (see Sec. 3.3 of Mostofi et al 2008),
but symmetrization is not done for the uspp part.


# write_parity

diff --git a/PP/src/pw2wannier90.f90 b/PP/src/pw2wannier90.f90
index 46d35a34f..9e170f770 100644
--- a/PP/src/pw2wannier90.f90
+++ b/PP/src/pw2wannier90.f90
@@ -4823,6 +4823,7 @@ SUBROUTINE write_parity
    USE gvect,                ONLY : g, ngm
    USE cell_base,            ONLY : at
    USE constants,            ONLY : eps6
+   USE lsda_mod,             ONLY : isk
 
    IMPLICIT NONE
    !
@@ -4844,19 +4845,15 @@ SUBROUTINE write_parity
    !
    IF (.not. gamma_only) THEN
       DO ik=ikstart,ikstop
-         IF ( (xk(1,ik)/= 0.d0) .or. (xk(2,ik)/= 0.d0) .or. (xk(3,ik)/= 0.d0) ) THEN
-            IF (ik == ikstop) CALL errore('write_parity',&
-                 ' parity calculation may only be performed at the gamma point.',1)
+         IF ( (xk(1,ik)/= 0.d0) .or. (xk(2,ik)/= 0.d0) .or. (xk(3,ik)/= 0.d0) &
+              .or. (ispinw /= 0 .and. isk(ik) /= ispinw) ) THEN
             CYCLE
          ELSE
-            ! NP: spin unpolarized or "up" component of spin
-            IF (ispinw == 0 .or. ispinw == 1) THEN
-               kgamma=ik
-            ELSE ! NP: "down" component
-               kgamma=ik+1
-            ENDIF
+            kgamma=ik
             exit
          ENDIF
+         IF (ik == ikstop) CALL errore('write_parity',&
+              ' parity calculation may only be performed at the gamma point.',1)
       ENDDO
    ELSE
       ! NP: spin unpolarized or "up" component of spin